DALVASTATIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H31FO3
Molecular Weight	386.4995
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DALVASTATIN

Structure Search

SMILES

CC1=C(F)C=CC(=C1)C2=C(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)C(C)(C)CC(C)(C)C2

InChI

InChIKey=VDSBXXDKCUBMQC-HNGSOEQISA-N

InChI=1S/C24H31FO3/c1-15-10-16(6-9-21(15)25)19-13-23(2,3)14-24(4,5)20(19)8-7-18-11-17(26)12-22(27)28-18/h6-10,17-18,26H,11-14H2,1-5H3/b8-7+/t17-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H31FO3
Molecular Weight	386.4995
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 16:35:54 UTC 2023` Edited by `admin` on `Fri Dec 15 16:35:54 UTC 2023`
Record UNII	ZWE0X0IG9D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DALVASTATIN

Official Name

English

dalvastatin [INN]

Common Name

English

DALVASTATIN [USAN]

Common Name

English

(±)-(4R*,6S*)-6-((E)-2-(2-(4-FLUORO-M-TOLYL)-4,4,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)VINYL)TETRAHYDRO-4-HYDROXY-2H-PYRAN-2-ONE

Systematic Name

English

2H-PYRAN-2-ONE, 6-(2-(2-(4-FLUORO-3-METHYLPHENYL)-4,4,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)ETHENYL)TETRAHYDRO-4-HYDROXY-, (4.ALPHA.,6.BETA.(E))-(±)-

Common Name

English

RG-12561

Code

English

RG 12561

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1655

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

Code System Code Type Description

INN

6717

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

PUBCHEM

6436001

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

EVMPD

SUB06894MIG

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

USAN

DD-68

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

NCI_THESAURUS

C75254

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

CAS

132100-55-1

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

EPA CompTox

DTXSID701021589

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

SMS_ID

100000083454

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

ChEMBL

CHEMBL2218897

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

FDA UNII

ZWE0X0IG9D

Created by admin on Fri Dec 15 16:35:54 UTC 2023 , Edited by admin on Fri Dec 15 16:35:54 UTC 2023

PRIMARY

Related Record Type Details


					XW8UFD4YLA

rel-(3R,5S,6E)-7-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]-3,5-dihydroxy-6-heptenoic acid

METABOLITE ACTIVE -> PRODRUG

Amount:

Related Record Type Details


					XW8UFD4YLA

rel-(3R,5S,6E)-7-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]-3,5-dihydroxy-6-heptenoic acid

ACTIVE MOIETY

Amount: