N-OCTYLATROPINIUM BROMIDE

Details

Stereochemistry	MIXED
Molecular Formula	C25H40NO3.Br
Molecular Weight	482.494
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].CCCCCCCC[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3

InChI

InChIKey=DLZGOGBFEPLEJA-YYYJYMDPSA-M

InChI=1S/C25H40NO3.BrH/c1-3-4-5-6-7-11-16-26(2)21-14-15-22(26)18-23(17-21)29-25(28)24(19-27)20-12-9-8-10-13-20;/h8-10,12-13,21-24,27H,3-7,11,14-19H2,1-2H3;1H/q+1;/p-1/t21-,22+,23+,24?,26?;

HIDE SMILES / InChI

Molecular Formula	C25H39NO3
Molecular Weight	401.5821
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	3 / 5
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 `Mon Mar 31 17:55:13 GMT 2025` Edited by `admin` on `Mon Mar 31 17:55:13 GMT 2025`
Record UNII	84WU09WR1Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCTYLATROPINE BROMIDE

Preferred Name

English

N-OCTYLATROPINIUM BROMIDE

Common Name

English

8-OCTYLATROPINIUM BROMIDE

Common Name

English

ATROPINE OCTOBROMIDE

Common Name

English

8-AZONIABICYCLO(3.2.1)OCTANE, 3-(3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-8-METHYL-8-OCTYL-, BROMIDE, ENDO-(±)-

Common Name

English

Octylatropine bromide [WHO-DD]

Common Name

English

Code System Code Type Description

SMS_ID

100000080029