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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H35FN2O6
Molecular Weight 574.6392
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORTHOHYDROXYATORVASTATIN

SMILES

CC(C)C1=C(C(=O)NC2=C(O)C=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=CZBPKFICAYVHHM-JWQCQUIFSA-N
InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H35FN2O6
Molecular Weight 574.6392
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:03:27 GMT 2023
Edited
by admin
on Sat Dec 16 02:03:27 GMT 2023
Record UNII
5267B75F6S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORTHOHYDROXYATORVASTATIN
Common Name English
O-HYDROXYATORVASTATIN
Common Name English
1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-4-(((2-HYDROXYPHENYL)AMINO)CARBONYL)-5-(1-METHYLETHYL)-3-PHENYL-, (.BETA.R,.DELTA.R)-
Common Name English
BMS 243887-01
Common Name English
PD 152873
Common Name English
PD-152873
Common Name English
Code System Code Type Description
PUBCHEM
9808225
Created by admin on Sat Dec 16 02:03:27 GMT 2023 , Edited by admin on Sat Dec 16 02:03:27 GMT 2023
PRIMARY
FDA UNII
5267B75F6S
Created by admin on Sat Dec 16 02:03:27 GMT 2023 , Edited by admin on Sat Dec 16 02:03:27 GMT 2023
PRIMARY
CAS
214217-86-4
Created by admin on Sat Dec 16 02:03:27 GMT 2023 , Edited by admin on Sat Dec 16 02:03:27 GMT 2023
PRIMARY