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Pyrrole

Aromatische organische heterozyklische Verbindungen, die aus einem fünfgliedrigen Ring mit vier Kohlenstoffatomen und einem Stickstoffatom bestehen, das eine funktionelle Amingruppe bildet.
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1

Atorvastatin Acetonide, TRC

CAS: 581772-29-4 Summenformel: C36 H39 F N2 O5 Molekulargewicht (g/mol): 598.7 Synonym: 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, (4R,6R)-,(4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid,2-[(4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid,Atorvastatin acetonide,Lipitor acetonide IUPAC-Name: 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H]5C[C@H](CC(=O)O)OC(C)(C)O5

IUPAC-Name 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CAS 581772-29-4
Molekulargewicht (g/mol) 598.7
SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H]5C[C@H](CC(=O)O)OC(C)(C)O5
Synonym 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, (4R,6R)-,(4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid,2-[(4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid,Atorvastatin acetonide,Lipitor acetonide
Summenformel C36 H39 F N2 O5
2

Atorvastatin Acetonide tert-Butyl Ester, TRC

CAS: 125971-95-1 Summenformel: C40 H47 F N2 O5 Molekulargewicht (g/mol): 654.81 Synonym: 1,1-Dimethylethyl (4R-cis)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1-H-pyrrol-1-yl]ethyl]-2,2-di-methyl-1,3-dioxane-4-acetate IUPAC-Name: tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H]5C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O5

IUPAC-Name tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CAS 125971-95-1
Molekulargewicht (g/mol) 654.81
SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H]5C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O5
Synonym 1,1-Dimethylethyl (4R-cis)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1-H-pyrrol-1-yl]ethyl]-2,2-di-methyl-1,3-dioxane-4-acetate
Summenformel C40 H47 F N2 O5
3

4-(2,5-Dimethyl-1-pyrrolyl)benzonitril, 98 %, Thermo Scientific Chemicals

CAS: 119516-86-8 Summenformel: C13H12N2 Molekulargewicht (g/mol): 196.253 InChI-Schlüssel: FNDFKQYZEDOHRC-UHFFFAOYSA-N Synonym: 1-4-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethylpyrrol-1-yl benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl benzonitrile,2,5-dimethyl-1-4-cyanophenyl pyrrole,n-4'-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethyl-1-pyrrolyl benzonitrile,benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl PubChem CID: 3787857 IUPAC-Name: 4-(2,5-Dimethylpyrrol-1-yl)Benzonitril SMILES: CC1=CC=C(N1C2=CC=C(C=C2)C#N)C

InChI-Schlüssel FNDFKQYZEDOHRC-UHFFFAOYSA-N
IUPAC-Name 4-(2,5-Dimethylpyrrol-1-yl)Benzonitril
PubChem CID 3787857
CAS 119516-86-8
Molekulargewicht (g/mol) 196.253
SMILES CC1=CC=C(N1C2=CC=C(C=C2)C#N)C
Synonym 1-4-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethylpyrrol-1-yl benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl benzonitrile,2,5-dimethyl-1-4-cyanophenyl pyrrole,n-4'-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethyl-1-pyrrolyl benzonitrile,benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl
Summenformel C13H12N2
4

4-(1H-Pyrrol-1-yl)-benzonitril, 97 %, Thermo Scientific™

CAS: 23351-07-7 Summenformel: C11H8N2 Molekulargewicht (g/mol): 168.20 MDL-Nummer: MFCD00085164 InChI-Schlüssel: OKVSZRKKRHNDOL-UHFFFAOYSA-N Synonym: 4-1h-pyrrol-1-yl benzonitrile,1-4-cyanophenyl pyrrole,n-4-cyanophenyl pyrrole,benzonitrile, 4-pyrrol-1-yl,4-1-pyrrolyl benzonitrile,4-pyrrol-1-yl benzonitrile,4-pyrrolylbenzenecarbonitrile,acmc-1cekp,maybridge1_001756,1-4-cyanophenyl-pyrrole PubChem CID: 272424 SMILES: N#CC1=CC=C(C=C1)N1C=CC=C1

InChI-Schlüssel OKVSZRKKRHNDOL-UHFFFAOYSA-N
PubChem CID 272424
CAS 23351-07-7
MDL-Nummer MFCD00085164
Molekulargewicht (g/mol) 168.20
SMILES N#CC1=CC=C(C=C1)N1C=CC=C1
Synonym 4-1h-pyrrol-1-yl benzonitrile,1-4-cyanophenyl pyrrole,n-4-cyanophenyl pyrrole,benzonitrile, 4-pyrrol-1-yl,4-1-pyrrolyl benzonitrile,4-pyrrol-1-yl benzonitrile,4-pyrrolylbenzenecarbonitrile,acmc-1cekp,maybridge1_001756,1-4-cyanophenyl-pyrrole
Summenformel C11H8N2