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Tetrahydroisochinoline

Organische heterozyklische Verbindungen, die aus einem Isoquinolinring ohne Doppelbindungen bestehen; enthält einen Benzolring, der mit einem sechsgliedrigen Ring mit einem Stickstoffatom und fünf Kohlenstoffatomen fusioniert ist.

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1

(R)-(+)-1,2,3,4-Tetrahydroisochinolin-3-carbonsäure, Thermo Scientific Chemicals

CAS: 103733-65-9 Summenformel: C10H11NO2 Molekulargewicht (g/mol): 177.20 MDL-Nummer: MFCD00144038 InChI-Schlüssel: BWKMGYQJPOAASG-UHFFFAOYNA-N Synonym: r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-d-tic-oh,d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-+-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 3r,3r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid PubChem CID: 712398 SMILES: OC(=O)C1CC2=CC=CC=C2CN1

InChI-Schlüssel BWKMGYQJPOAASG-UHFFFAOYNA-N
PubChem CID 712398
CAS 103733-65-9
MDL-Nummer MFCD00144038
Molekulargewicht (g/mol) 177.20
SMILES OC(=O)C1CC2=CC=CC=C2CN1
Synonym r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-d-tic-oh,d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-+-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 3r,3r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid
Summenformel C10H11NO2
2

(S)-(-)-1,2,3,4-Tetrahydroisochinolin-3-carboxylsäure, 97 %, Thermo Scientific Chemicals

CAS: 74163-81-8 Summenformel: C10H11NO2 Molekulargewicht (g/mol): 177.20 MDL-Nummer: MFCD00144533 InChI-Schlüssel: BWKMGYQJPOAASG-VIFPVBQESA-N Synonym: l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-tic-oh,l-porretine,3s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,unii-737g46u1np,s---1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid PubChem CID: 2733226 IUPAC-Name: (3S)-1,2,3,4-Tetrahydroisochinolin-3-Carbonsäure SMILES: OC(=O)[C@@H]1CC2=CC=CC=C2CN1

InChI-Schlüssel BWKMGYQJPOAASG-VIFPVBQESA-N
IUPAC-Name (3S)-1,2,3,4-Tetrahydroisochinolin-3-Carbonsäure
PubChem CID 2733226
CAS 74163-81-8
MDL-Nummer MFCD00144533
Molekulargewicht (g/mol) 177.20
SMILES OC(=O)[C@@H]1CC2=CC=CC=C2CN1
Synonym l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-tic-oh,l-porretine,3s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,unii-737g46u1np,s---1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
Summenformel C10H11NO2
3

DL-6-Hydroxy-1,2,3,4-tetrahydroisochinolin-3-carbonsäurehydrat, 96 %, Thermo Scientific™

CAS: 76824-99-2 Summenformel: C10H11NO3 Molekulargewicht (g/mol): 193.20 MDL-Nummer: MFCD03092912 InChI-Schlüssel: CRAGDYRHPWTZJL-UHFFFAOYNA-N Synonym: 6-hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrate,6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate,akos 68,d,l-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate,6-hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid h2o,6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate,d,l-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid PubChem CID: 18525693 SMILES: OC(=O)C1CC2=C(CN1)C=CC(O)=C2

InChI-Schlüssel CRAGDYRHPWTZJL-UHFFFAOYNA-N
PubChem CID 18525693
CAS 76824-99-2
MDL-Nummer MFCD03092912
Molekulargewicht (g/mol) 193.20
SMILES OC(=O)C1CC2=C(CN1)C=CC(O)=C2
Synonym 6-hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrate,6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate,akos 68,d,l-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate,6-hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid h2o,6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrate,d,l-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Summenformel C10H11NO3
4

(S)-N-Boc-1,2,3,4-tetrahydroisochinolin-3-carbonsäure, 98 %, Thermo Scientific Chemicals

CAS: 78879-20-6 Summenformel: C15H18NO4 Molekulargewicht (g/mol): 276.31 MDL-Nummer: MFCD00143845 InChI-Schlüssel: HFPVZPNLMJDJFB-LBPRGKRZSA-M Synonym: boc-tic-oh,s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-n-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-l-tic-oh,s-2-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,3s-2-2-methylpropan-2-yl oxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid PubChem CID: 664088 IUPAC-Name: (3S)-2-[(2-Methylpropan-2-yl)Oxycarbonyl]-3,4-Dihydro-1H-Isochinolin-3-Carbonsäure SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C([O-])=O

InChI-Schlüssel HFPVZPNLMJDJFB-LBPRGKRZSA-M
IUPAC-Name (3S)-2-[(2-Methylpropan-2-yl)Oxycarbonyl]-3,4-Dihydro-1H-Isochinolin-3-Carbonsäure
PubChem CID 664088
CAS 78879-20-6
MDL-Nummer MFCD00143845
Molekulargewicht (g/mol) 276.31
SMILES CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C([O-])=O
Synonym boc-tic-oh,s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-n-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-l-tic-oh,s-2-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,3s-2-2-methylpropan-2-yl oxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
Summenformel C15H18NO4
5

(R)-N-Boc-1,2,3,4-tetrahydroisochinolin-3-carbonsäure, 98 %, Thermo Scientific Chemicals

CAS: 115962-35-1 Summenformel: C15H18NO4 Molekulargewicht (g/mol): 276.31 MDL-Nummer: MFCD00143818 InChI-Schlüssel: HFPVZPNLMJDJFB-GFCCVEGCSA-M Synonym: boc-d-tic-oh,r-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3r-2-tert-butoxy carbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r---n-boc-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,r---2-tertbutoxycarbonyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,boc-d-tic,ambotzbaa1055 PubChem CID: 688607 IUPAC-Name: (3R)-2-[(2-Methylpropan-2-yl)Oxycarbonyl]-3,4-Dihydro-1H-Isochinolin-3-Carbonsäure SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C([O-])=O

InChI-Schlüssel HFPVZPNLMJDJFB-GFCCVEGCSA-M
IUPAC-Name (3R)-2-[(2-Methylpropan-2-yl)Oxycarbonyl]-3,4-Dihydro-1H-Isochinolin-3-Carbonsäure
PubChem CID 688607
CAS 115962-35-1
MDL-Nummer MFCD00143818
Molekulargewicht (g/mol) 276.31
SMILES CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C([O-])=O
Synonym boc-d-tic-oh,r-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3r-2-tert-butoxy carbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r---n-boc-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,r---2-tertbutoxycarbonyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,boc-d-tic,ambotzbaa1055
Summenformel C15H18NO4
7

6-Methoxy-1,2,3,4-tetrahydroisoquinoline, TRC

CAS: 42923-77-3 Summenformel: C10H13NO Molekulargewicht (g/mol): 163.22 Synonym: 1,2,3,4-Tetrahydro-6-methoxyisoquinoline,6-Methoxy-1,2,3,4-tetrahydroisoquinoline IUPAC-Name: 6-methoxy-1,2,3,4-tetrahydroisoquinoline SMILES: COC1=CC=C(CNCC2)C2=C1

IUPAC-Name 6-methoxy-1,2,3,4-tetrahydroisoquinoline
CAS 42923-77-3
Molekulargewicht (g/mol) 163.22
SMILES COC1=CC=C(CNCC2)C2=C1
Synonym 1,2,3,4-Tetrahydro-6-methoxyisoquinoline,6-Methoxy-1,2,3,4-tetrahydroisoquinoline
Summenformel C10H13NO
8

cis (2,3)-Dihydro Tetrabenazine, TRC

CAS: 113627-25-1 Summenformel: C19 H29 N O3 Molekulargewicht (g/mol): 319.44 Synonym: rel-(2R,3S,11bS)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol,(2α,3α,11bα)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3 IUPAC-Name: (2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol SMILES: COc1cc2CCN3C[C@H](CC(C)C)[C@H](O)C[C@H]3c2cc1OC

IUPAC-Name (2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CAS 113627-25-1
Molekulargewicht (g/mol) 319.44
SMILES COc1cc2CCN3C[C@H](CC(C)C)[C@H](O)C[C@H]3c2cc1OC
Synonym rel-(2R,3S,11bS)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol,(2α,3α,11bα)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3
Summenformel C19 H29 N O3
9

trans (2,3)-Dihydro Tetrabenazine, TRC

CAS: 171598-74-6 Summenformel: C19H29NO3 Molekulargewicht (g/mol): 319.44 Synonym: rel-(2R,3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol,(2α,3β,11bβ)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3 -(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol SMILES: CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1O)OC)OC

CAS 171598-74-6
Molekulargewicht (g/mol) 319.44
SMILES CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1O)OC)OC
Synonym rel-(2R,3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol,(2α,3β,11bβ)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3 -(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol
Summenformel C19H29NO3
10

1,2,3,4-Tetrahydroisoquinoline-6,7-diol Hydrobromide, TRC

CAS: 52768-23-7 Summenformel: C9H11NO2.HBr Molekulargewicht (g/mol): 246.1 IUPAC-Name: 1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide SMILES: Br.Oc1cc2CCNCc2cc1O

IUPAC-Name 1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
CAS 52768-23-7
Molekulargewicht (g/mol) 246.1
SMILES Br.Oc1cc2CCNCc2cc1O
Summenformel C9H11NO2.HBr
11

2-Methyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride, TRC

CAS: 53112-33-7 Summenformel: C10 H13 N . H Cl Molekulargewicht (g/mol): 183.68 Synonym: Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (1:1) (ACI),Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (7CI, 9CI),2-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,N-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,1,2,3,4-Tetrahydro-2-methylisoquinoline hydrochloride IUPAC-Name: 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride SMILES: Cl.CN1CCc2ccccc2C1

IUPAC-Name 2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CAS 53112-33-7
Molekulargewicht (g/mol) 183.68
SMILES Cl.CN1CCc2ccccc2C1
Synonym Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (1:1) (ACI),Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (7CI, 9CI),2-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,N-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,1,2,3,4-Tetrahydro-2-methylisoquinoline hydrochloride
Summenformel C10 H13 N . H Cl
12

4-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride, TRC

CAS: 6109-35-9 Summenformel: C15 H15 N . Cl H Molekulargewicht (g/mol): 245.75 IUPAC-Name: 4-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride SMILES: Cl.C1NCc2ccccc2C1c3ccccc3

IUPAC-Name 4-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CAS 6109-35-9
Molekulargewicht (g/mol) 245.75
SMILES Cl.C1NCc2ccccc2C1c3ccccc3
Summenformel C15 H15 N . Cl H
13

6-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline, TRC

CAS: 220327-29-7 Summenformel: C16H17N Molekulargewicht (g/mol): 223.31 IUPAC-Name: 6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline SMILES: Cc1ccc2C(NCCc2c1)c3ccccc3

IUPAC-Name 6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CAS 220327-29-7
Molekulargewicht (g/mol) 223.31
SMILES Cc1ccc2C(NCCc2c1)c3ccccc3
Summenformel C16H17N
14

6-Hydroxy-1,2,3,4-tetrahydroisochinolin, 97 %, Thermo Scientific Chemicals

CAS: 14446-24-3 Summenformel: C9H11NO Molekulargewicht (g/mol): 149.193 MDL-Nummer: MFCD01717047 InChI-Schlüssel: SCMZIFSYPJICCV-UHFFFAOYSA-N Synonym: 6-hydroxy-1,2,3,4-tetrahydroisoquinoline,1,2,3,4-tetrahydro-isoquinolin-6-ol,1,2,3,4-tetrahydro-6-isoquinolinol,6-isoquinolinol, 1,2,3,4-tetrahydro,pubchem13941,6-hydroxytetrahydroisochinolin,ksc376k4j,6-hydroxy-1,2,3,4-tetrahydro-isoquinoline PubChem CID: 26698 IUPAC-Name: 1,2,3,4-Tetrahydroisochinolin-6-ol SMILES: C1CNCC2=C1C=C(C=C2)O

InChI-Schlüssel SCMZIFSYPJICCV-UHFFFAOYSA-N
IUPAC-Name 1,2,3,4-Tetrahydroisochinolin-6-ol
PubChem CID 26698
CAS 14446-24-3
MDL-Nummer MFCD01717047
Molekulargewicht (g/mol) 149.193
SMILES C1CNCC2=C1C=C(C=C2)O
Synonym 6-hydroxy-1,2,3,4-tetrahydroisoquinoline,1,2,3,4-tetrahydro-isoquinolin-6-ol,1,2,3,4-tetrahydro-6-isoquinolinol,6-isoquinolinol, 1,2,3,4-tetrahydro,pubchem13941,6-hydroxytetrahydroisochinolin,ksc376k4j,6-hydroxy-1,2,3,4-tetrahydro-isoquinoline
Summenformel C9H11NO
15

6,7-Dimethoxy-1,2,3,4-Tetrahydroisochinolin-Hydrochlorid, 97 %, Thermo Scientific Chemicals

CAS: 2328-12-3 Summenformel: C11H16ClNO2 Molekulargewicht (g/mol): 229.70 MDL-Nummer: MFCD00012744 InChI-Schlüssel: SHOWAGCIRTUYNA-UHFFFAOYSA-N

InChI-Schlüssel SHOWAGCIRTUYNA-UHFFFAOYSA-N
CAS 2328-12-3
MDL-Nummer MFCD00012744
Molekulargewicht (g/mol) 229.70
Summenformel C11H16ClNO2