ANISODINE HYDROBROMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H21NO5.BrH
Molecular Weight	400.264
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br.CN1[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@@H]23)OC(=O)[C@@](O)(CO)C4=CC=CC=C4

InChI

InChIKey=GJPDCORRBGIJOP-JYHRPVKFSA-N

InChI=1S/C17H21NO5.BrH/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10;/h2-6,11-15,19,21H,7-9H2,1H3;1H/t11-,12-,13+,14-,15+,17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C17H21NO5
Molecular Weight	319.3523
Charge	0
Count

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

Molecular Formula	BrH
Molecular Weight	80.912
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 `Sat Dec 16 08:45:13 UTC 2023` Edited by `admin` on `Sat Dec 16 08:45:13 UTC 2023`
Record UNII	6JS7JS5B0F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANISODINE HYDROBROMIDE

Common Name

English

BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-(HYDROXYMETHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.0(SUP 2,4))NON-7-YL ESTER, HYDROBROMIDE, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-

Systematic Name

English

BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-(HYDROXYMETHYL)-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.0(SUP 2,4))NON-7-YL ESTER, HYDROBROMIDE (1:1), (.ALPHA.S)-

Systematic Name

English

3-.ALPHA.-(2',3'-DIHYDROXY-2'-PHENYLPROPIONYLOXY)-6-.BETA.,7-.BETA.-EPOXYTROPANE HYDROCHLORIDE

Common Name

English

Anisodine hydrobromide [WHO-DD]

Common Name

English

J3.145.635E

Code

English

Code System Code Type Description

SMS_ID

100000143393