VCH-916

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H32NO4S.K
Molecular Weight	493.7
Optical Activity	NONE
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].CO[C@H]1CC[C@@H](CC1)N(C(=O)[C@H]2CC[C@H](C)CC2)C3=C(SC(=C3)C4=CC=CC=C4)C([O-])=O

InChI

InChIKey=DUHVLFMTLYLIHQ-CMYQJZBSSA-M

InChI=1S/C26H33NO4S.K/c1-17-8-10-19(11-9-17)25(28)27(20-12-14-21(31-2)15-13-20)22-16-23(32-24(22)26(29)30)18-6-4-3-5-7-18;/h3-7,16-17,19-21H,8-15H2,1-2H3,(H,29,30);/q;+1/p-1/t17-,19-,20-,21-;

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

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

Molecular Formula	C26H32NO4S
Molecular Weight	454.602
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:05:44 GMT 2023` Edited by `admin` on `Sat Dec 16 20:05:44 GMT 2023`
Record UNII	42GX64T7HA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VCH-916

Code

English

2-Thiophenecarboxylic acid, 5-(1-cyclohexen-1-yl)-3-[(trans-4-methoxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-, potassium salt (1:1)

Systematic Name

English

Code System Code Type Description

CAS

1200133-34-1

Created by admin on Sat Dec 16 20:05:44 GMT 2023 , Edited by admin on Sat Dec 16 20:05:44 GMT 2023

PRIMARY

FDA UNII

42GX64T7HA

Created by admin on Sat Dec 16 20:05:44 GMT 2023 , Edited by admin on Sat Dec 16 20:05:44 GMT 2023

PRIMARY

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VCH-916 Free acid

PARENT -> SALT/SOLVATE

Amount:

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					3E4M52KG2G

VCH-916 Free acid

ACTIVE MOIETY

Amount: