CHLORPHENETHAZINE MALONATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H17ClN2S.C3H4O4
Molecular Weight	408.899
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CHLORPHENETHAZINE MALONATE

Structure Search

SMILES

OC(=O)CC(O)=O.CN(C)CCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2

InChI

InChIKey=KKMBVRHWPGEMQT-UHFFFAOYSA-N

InChI=1S/C16H17ClN2S.C3H4O4/c1-18(2)9-10-19-13-5-3-4-6-15(13)20-16-8-7-12(17)11-14(16)19;4-2(5)1-3(6)7/h3-8,11H,9-10H2,1-2H3;1H2,(H,4,5)(H,6,7)

HIDE SMILES / InChI

Molecular Formula	C16H17ClN2S
Molecular Weight	304.838
Charge	0
Count

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

Molecular Formula	C3H4O4
Molecular Weight	104.0615
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 `Mon Mar 31 19:14:50 GMT 2025` Edited by `admin` on `Mon Mar 31 19:14:50 GMT 2025`
Record UNII	7Z80THC8RZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLORPHENETHAZINE MALONATE

Common Name

English

PROPANEDIOIC ACID, COMPD. WITH 2-CHLORO-N,N-DIMETHYL-10H-PHENOTHIAZINE-10-ETHANAMINE (1:1)

Preferred Name

English

Chlorphenethazine malonate [WHO-DD]

Common Name

English

Code System Code Type Description

CAS

60113-78-2

Created by admin on Mon Mar 31 19:14:50 GMT 2025 , Edited by admin on Mon Mar 31 19:14:50 GMT 2025

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EPA CompTox

DTXSID20208864

Created by admin on Mon Mar 31 19:14:50 GMT 2025 , Edited by admin on Mon Mar 31 19:14:50 GMT 2025

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SMS_ID

100000084737

Created by admin on Mon Mar 31 19:14:50 GMT 2025 , Edited by admin on Mon Mar 31 19:14:50 GMT 2025

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FDA UNII

7Z80THC8RZ

Created by admin on Mon Mar 31 19:14:50 GMT 2025 , Edited by admin on Mon Mar 31 19:14:50 GMT 2025

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EVMPD

SUB01248MIG

Created by admin on Mon Mar 31 19:14:50 GMT 2025 , Edited by admin on Mon Mar 31 19:14:50 GMT 2025

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PUBCHEM

12598208

Created by admin on Mon Mar 31 19:14:50 GMT 2025 , Edited by admin on Mon Mar 31 19:14:50 GMT 2025

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Related Record Type Details


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CHLORPHENETHAZINE

PARENT -> SALT/SOLVATE