BMS-423526

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H31FNO4.Na
Molecular Weight	511.5596
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC(C)C1=C(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)C(C2=CC=C(F)C=C2)=C3CCCC4=CC=CC=C4C3=N1

InChI

InChIKey=JNDIIWUWMDEZSL-ZOBSUGNGSA-M

InChI=1S/C30H32FNO4.Na/c1-18(2)29-26(15-14-22(33)16-23(34)17-27(35)36)28(20-10-12-21(31)13-11-20)25-9-5-7-19-6-3-4-8-24(19)30(25)32-29;/h3-4,6,8,10-15,18,22-23,33-34H,5,7,9,16-17H2,1-2H3,(H,35,36);/q;+1/p-1/b15-14+;/t22-,23-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C30H31FNO4
Molecular Weight	488.5698
Charge	-1
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 `Sat Dec 16 13:45:16 GMT 2023` Edited by `admin` on `Sat Dec 16 13:45:16 GMT 2023`
Record UNII	41B855CV9E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-423526

Code

English

6-HEPTENOIC ACID, 7-(4-(4-FLUOROPHENYL)-6,7-DIHYDRO-2-(1-METHYLETHYL)-5H-BENZO(6,7)CYCLOHEPTA(1,2-B)PYRIDIN-3-YL)-3,5-DIHYDROXY-, SODIUM SALT (1:1), (3R,5S,6E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

41B855CV9E

Created by admin on Sat Dec 16 13:45:17 GMT 2023 , Edited by admin on Sat Dec 16 13:45:17 GMT 2023

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CAS

380468-71-3

Created by admin on Sat Dec 16 13:45:17 GMT 2023 , Edited by admin on Sat Dec 16 13:45:17 GMT 2023

PRIMARY

PUBCHEM

59093863

Created by admin on Sat Dec 16 13:45:17 GMT 2023 , Edited by admin on Sat Dec 16 13:45:17 GMT 2023

PRIMARY

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