DIMENHYDRINATE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H21NO.C7H7ClN4O2.ClH
Molecular Weight	506.425
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIMENHYDRINATE HYDROCHLORIDE

Structure Search

SMILES

Cl.CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O.CN(C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=XBELCFNAGSCRNF-UHFFFAOYSA-N

InChI=1S/C17H21NO.C7H7ClN4O2.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10);1H

HIDE SMILES / InChI

Molecular Formula	C17H21NO
Molecular Weight	255.3547
Charge	0
Count

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

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	C7H7ClN4O2
Molecular Weight	214.609
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 15:05:50 UTC 2023` Edited by `admin` on `Fri Dec 15 15:05:50 UTC 2023`
Record UNII	WWI80U0EMC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIMENHYDRINATE HYDROCHLORIDE

Common Name

English

1H-PURINE-2,6-DIONE, 8-CHLORO-3,9-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 2-(DIPHENYLMETHOXY)-N,N-DIMETHYLETHANAMINE, HYDROCHLORIDE

Systematic Name

English

ETHANAMINE, 2-(DIPHENYLMETHOXY)-N,N-DIMETHYL-, COMPD. WITH 8-CHLORO-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE (1:1), HYDROCHLORIDE

Common Name

English

Code System Code Type Description

CAS

54842-30-7