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Details

Stereochemistry RACEMIC
Molecular Formula C28H31FO5
Molecular Weight 466.5411
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BERVASTATIN

SMILES

CCOC(=O)C[C@@H](O)C[C@@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C3=CC=CC=C3OC14CCCC4

InChI

InChIKey=ZADJRRFMOOACHL-WQICJITCSA-N
InChI=1S/C28H31FO5/c1-2-33-26(32)18-22(31)17-21(30)13-14-24-27(19-9-11-20(29)12-10-19)23-7-3-4-8-25(23)34-28(24)15-5-6-16-28/h3-4,7-14,21-22,30-31H,2,5-6,15-18H2,1H3/b14-13+/t21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H31FO5
Molecular Weight 466.5411
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:10:17 UTC 2023
Edited
by admin
on Fri Dec 15 16:10:17 UTC 2023
Record UNII
057SF9C1UZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BERVASTATIN
INN  
INN  
Official Name English
ETHYL (±)-(3R*,5S*,6E)-7-(4-(P-FLUOROPHENYL)SPIRO(2H-1-BENZOPYRAN-2,1'-CYCLOPENTAN)-3-YL)-3,5-DIHYDROXY-6-HEPTENOATE
Common Name English
bervastatin [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1655
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
Code System Code Type Description
FDA UNII
057SF9C1UZ
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID001021588
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
PRIMARY
PUBCHEM
6436003
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
PRIMARY
EVMPD
SUB05785MIG
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
PRIMARY
SMS_ID
100000086071
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
PRIMARY
CAS
132017-01-7
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
PRIMARY
ChEMBL
CHEMBL2218915
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
PRIMARY
NCI_THESAURUS
C77441
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
PRIMARY
INN
7315
Created by admin on Fri Dec 15 16:10:17 UTC 2023 , Edited by admin on Fri Dec 15 16:10:17 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
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ACTIVE MOIETY