KW-3635

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H21N2O3.Na
Molecular Weight	432.4463
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC1=C(C)C=C2N(C\C=C3/C4=CC=CC=C4COC5=CC=C(C=C35)C([O-])=O)C=NC2=C1

InChI

InChIKey=KWELWDMCBFWKQN-CSFJJMQLSA-M

InChI=1S/C26H22N2O3.Na/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25;/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30);/q;+1/p-1/b21-9+;

HIDE SMILES / InChI

Molecular Formula	C26H21N2O3
Molecular Weight	409.4565
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:22:04 GMT 2023` Edited by `admin` on `Fri Dec 15 19:22:04 GMT 2023`
Record UNII	WG00T3YN0T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KW-3635

Common Name

English

DIBENZ(B,E)OXEPIN-2-CARBOXYLIC ACID, 11-(2-(5,6-DIMETHYL-1H-BENZIMIDAZOL-1-YL)ETHYLIDENE)-6,11-DIHYDRO-, SODIUM SALT, (11E)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

23673318

Created by admin on Fri Dec 15 19:22:04 GMT 2023 , Edited by admin on Fri Dec 15 19:22:04 GMT 2023

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CAS

127166-41-0

Created by admin on Fri Dec 15 19:22:04 GMT 2023 , Edited by admin on Fri Dec 15 19:22:04 GMT 2023

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FDA UNII

WG00T3YN0T

Created by admin on Fri Dec 15 19:22:04 GMT 2023 , Edited by admin on Fri Dec 15 19:22:04 GMT 2023

PRIMARY

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					U309X7F07W

KW-3635 FREE ACID

ACTIVE MOIETY