PROPOXYPHENE MALONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29NO2.C3H4O4
Molecular Weight	443.5326
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)=O.CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C2=CC=CC=C2

InChI

InChIKey=RHUFCQJLAFEIJR-MYXGOWFTSA-N

InChI=1S/C22H29NO2.C3H4O4/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;4-2(5)1-3(6)7/h6-15,18H,5,16-17H2,1-4H3;1H2,(H,4,5)(H,6,7)/t18-,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C22H29NO2
Molecular Weight	339.4712
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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 `Fri Dec 15 18:05:10 UTC 2023` Edited by `admin` on `Fri Dec 15 18:05:10 UTC 2023`
Record UNII	W4494CHJ3W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PROPOXYPHENE MALONATE

Common Name

English

PROPANEDIOIC ACID, COMPD. WITH 3-(DIMETHYLAMINO)-1-(3-METHOXYPHENYL)-2-METHYL-1-(PHENYLMETHYL)PROPYL PROPANOATE (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20958953

Created by admin on Fri Dec 15 18:05:11 UTC 2023 , Edited by admin on Fri Dec 15 18:05:11 UTC 2023

PRIMARY

FDA UNII

W4494CHJ3W

Created by admin on Fri Dec 15 18:05:11 UTC 2023 , Edited by admin on Fri Dec 15 18:05:11 UTC 2023

PRIMARY

PUBCHEM

56840911

Created by admin on Fri Dec 15 18:05:11 UTC 2023 , Edited by admin on Fri Dec 15 18:05:11 UTC 2023

PRIMARY

CAS

37947-49-2

Created by admin on Fri Dec 15 18:05:11 UTC 2023 , Edited by admin on Fri Dec 15 18:05:11 UTC 2023

PRIMARY

Related Record Type Details


					S2F83W92TK

PROPOXYPHENE

PARENT -> SALT/SOLVATE