APOMETHSCOPOLAMINE BROMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22NO3.Br
Molecular Weight	380.276
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@@H]23)OC(=O)C(=C)C4=CC=CC=C4

InChI

InChIKey=AQCNGNHMLUELLT-AFGGPKCOSA-M

InChI=1S/C18H22NO3.BrH/c1-11(12-7-5-4-6-8-12)18(20)21-13-9-14-16-17(22-16)15(10-13)19(14,2)3;/h4-8,13-17H,1,9-10H2,2-3H3;1H/q+1;/p-1/t13-,14-,15+,16-,17+;

HIDE SMILES / InChI

Molecular Formula	C18H22NO3
Molecular Weight	300.3722
Charge	1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Br
Molecular Weight	79.904
Charge	-1
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 `Wed Apr 02 12:34:44 GMT 2025` Edited by `admin` on `Wed Apr 02 12:34:44 GMT 2025`
Record UNII	58M29QW6HJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APOMETHSCOPOLAMINE BROMIDE

Common Name

English

N-METHYLAPOSCOPOLAMMONIUM BROMIDE

Preferred Name

English

(1R,2R,4S,5S,7S)-9,9-DIMETHYL-7-((2-PHENYLACRYLOYL)OXY)-3-OXA-9-AZATRICYCLO(3.3.1.0(SUP 2,4))NONAN-9-IUM BROMIDE

Systematic Name

English

Code System Code Type Description

CAS

109668-57-7

Created by admin on Wed Apr 02 12:34:44 GMT 2025 , Edited by admin on Wed Apr 02 12:34:44 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

58M29QW6HJ

Created by admin on Wed Apr 02 12:34:44 GMT 2025 , Edited by admin on Wed Apr 02 12:34:44 GMT 2025

PRIMARY

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