Gabaculine hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C7H9NO2.ClH
Molecular Weight	175.613
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.N[C@H]1CC(=CC=C1)C(O)=O

InChI

InChIKey=OBZFLUDUSNCZKL-FYZOBXCZSA-N

InChI=1S/C7H9NO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-3,6H,4,8H2,(H,9,10);1H/t6-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C7H9NO2
Molecular Weight	139.1519
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
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 `Sat Dec 16 19:21:05 GMT 2023` Edited by `admin` on `Sat Dec 16 19:21:05 GMT 2023`
Record UNII	RH8XTY77XF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Gabaculine hydrochloride

Common Name

English

1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, hydrochloride, (S)-

Systematic Name

English

1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, hydrochloride (1:1), (5S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

RH8XTY77XF

Created by admin on Sat Dec 16 19:21:05 GMT 2023 , Edited by admin on Sat Dec 16 19:21:05 GMT 2023

PRIMARY

PUBCHEM

72722190

Created by admin on Sat Dec 16 19:21:05 GMT 2023 , Edited by admin on Sat Dec 16 19:21:05 GMT 2023

PRIMARY

CAS

74032-85-2

Created by admin on Sat Dec 16 19:21:05 GMT 2023 , Edited by admin on Sat Dec 16 19:21:05 GMT 2023

PRIMARY

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