N-BUTYRYL SCOPOLAMINE HYDROBROMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27NO5.BrH
Molecular Weight	454.355
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-BUTYRYL SCOPOLAMINE HYDROBROMIDE

Structure Search

SMILES

Br.[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](COC(=O)CCC)C4=CC=CC=C4

InChI

InChIKey=WSYFJPAHXSZYCQ-NRCJNBSDSA-N

InChI=1S/C21H27NO5.BrH/c1-3-7-18(23)25-12-15(13-8-5-4-6-9-13)21(24)26-14-10-16-19-20(27-19)17(11-14)22(16)2;/h4-6,8-9,14-17,19-20H,3,7,10-12H2,1-2H3;1H/t14-,15-,16-,17+,19-,20+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C21H27NO5
Molecular Weight	373.4428
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 `Fri Dec 15 15:34:56 UTC 2023` Edited by `admin` on `Fri Dec 15 15:34:56 UTC 2023`
Record UNII	673EFC9Q1L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-BUTYRYL SCOPOLAMINE HYDROBROMIDE

Common Name

English

N-BUTYRYL SCOPOLAMINE HBR

Common Name

English

Code System Code Type Description

PUBCHEM

76962901

Created by admin on Fri Dec 15 15:34:56 UTC 2023 , Edited by admin on Fri Dec 15 15:34:56 UTC 2023

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FDA UNII

673EFC9Q1L

Created by admin on Fri Dec 15 15:34:56 UTC 2023 , Edited by admin on Fri Dec 15 15:34:56 UTC 2023

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CAS

22198-62-5

Created by admin on Fri Dec 15 15:34:56 UTC 2023 , Edited by admin on Fri Dec 15 15:34:56 UTC 2023

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N-BUTYRYL SCOPOLAMINE

ACTIVE MOIETY