3-Carbamimidoylsulfanylprop-2-enoic acid hydrochloride, (Z)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H6N2O2S.ClH
Molecular Weight	182.629
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-Carbamimidoylsulfanylprop-2-enoic acid hydrochloride, (Z)-

Structure Search

SMILES

Cl.NC(=N)S\C=C/C(O)=O

InChI

InChIKey=ZAJCBMCNQJOAME-ODZAUARKSA-N

InChI=1S/C4H6N2O2S.ClH/c5-4(6)9-2-1-3(7)8;/h1-2H,(H3,5,6)(H,7,8);1H/b2-1-;

HIDE SMILES / InChI

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

Molecular Formula	C4H6N2O2S
Molecular Weight	146.168
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
GABA-A receptor; anion channel 202 Target ID: CHEMBL1907607 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9776382 \| https://www.ncbi.nlm.nih.gov/pubmed/2851353 \| https://www.ncbi.nlm.nih.gov/pubmed/3015310 \| https://www.ncbi.nlm.nih.gov/pubmed/1320473	Agonist 2678

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:52:41 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:41 GMT 2023`
Record UNII	57NZ24HX2K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Carbamimidoylsulfanylprop-2-enoic acid hydrochloride, (Z)-

Systematic Name

English

2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, monohydrochloride, (Z)-

Systematic Name

English

2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, monohydrochloride, (2Z)-

Systematic Name

English

2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, hydrochloride (1:1), (2Z)-

Systematic Name

English

Code System Code Type Description

FDA UNII

57NZ24HX2K

Created by admin on Sat Dec 16 19:52:41 GMT 2023 , Edited by admin on Sat Dec 16 19:52:41 GMT 2023

PRIMARY

PUBCHEM

45259434

Created by admin on Sat Dec 16 19:52:41 GMT 2023 , Edited by admin on Sat Dec 16 19:52:41 GMT 2023

PRIMARY

CAS

78594-87-3

Created by admin on Sat Dec 16 19:52:41 GMT 2023 , Edited by admin on Sat Dec 16 19:52:41 GMT 2023

PRIMARY

Related Record Type Details


					9BEF4TZ2W7

3-Carbamimidoylsulfanylprop-2-enoic acid, (Z)-

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