U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C26H22FNO4
Molecular Weight 431.4556
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((4-FLUOROPHENYL)CARBONYL)-2-(2-METHYLPROPANOYL)-N,3-DIPHENYLOXIRANE-2-CARBOXAMIDE

SMILES

CC(C)C(=O)C1(OC1(C(=O)C2=CC=C(F)C=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChIKey=AAEQXEDPVFIFDK-UHFFFAOYSA-N
InChI=1S/C26H22FNO4/c1-17(2)22(29)26(24(31)28-21-11-7-4-8-12-21)25(32-26,19-9-5-3-6-10-19)23(30)18-13-15-20(27)16-14-18/h3-17H,1-2H3,(H,28,31)

HIDE SMILES / InChI

Molecular Formula C26H22FNO4
Molecular Weight 431.4556
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Isolation and structure determination of oxidative degradation products of atorvastatin.
2009 Dec 5
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:42:25 UTC 2023
Edited
by admin
on Sat Dec 16 05:42:25 UTC 2023
Record UNII
TP7T4AJ7RD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((4-FLUOROPHENYL)CARBONYL)-2-(2-METHYLPROPANOYL)-N,3-DIPHENYLOXIRANE-2-CARBOXAMIDE
Systematic Name English
ATORVASTATIN CALCIUM IMPURITY D [EP IMPURITY]
Common Name English
ATORVASTATIN RELATED COMPOUND D
USP-RS  
Common Name English
OXIRANECARBOXAMIDE, 3-(4-FLUOROBENZOYL)-2-(2-METHYL-1-OXOPROPYL)-N,3-DIPHENYL-
Systematic Name English
ATORVASTATIN RELATED COMPOUND D [USP-RS]
Common Name English
Code System Code Type Description
FDA UNII
TP7T4AJ7RD
Created by admin on Sat Dec 16 05:42:26 UTC 2023 , Edited by admin on Sat Dec 16 05:42:26 UTC 2023
PRIMARY
PUBCHEM
11976726
Created by admin on Sat Dec 16 05:42:26 UTC 2023 , Edited by admin on Sat Dec 16 05:42:26 UTC 2023
PRIMARY
RS_ITEM_NUM
1044550
Created by admin on Sat Dec 16 05:42:26 UTC 2023 , Edited by admin on Sat Dec 16 05:42:26 UTC 2023
PRIMARY
CAS
148146-51-4
Created by admin on Sat Dec 16 05:42:26 UTC 2023 , Edited by admin on Sat Dec 16 05:42:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP