SCOPOLAMINE 4-HYDROXYBENZOATE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25NO6.ClH
Molecular Weight	459.919
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SCOPOLAMINE 4-HYDROXYBENZOATE HYDROCHLORIDE

Structure Search

SMILES

Cl.[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](COC(=O)C4=CC=C(O)C=C4)C5=CC=CC=C5

InChI

InChIKey=NDPHMTLRXUODHW-LLHIRTPOSA-N

InChI=1S/C24H25NO6.ClH/c1-25-19-11-17(12-20(25)22-21(19)31-22)30-24(28)18(14-5-3-2-4-6-14)13-29-23(27)15-7-9-16(26)10-8-15;/h2-10,17-22,26H,11-13H2,1H3;1H/t17-,18-,19-,20+,21-,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H25NO6
Molecular Weight	423.4584
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:14:57 GMT 2023` Edited by `admin` on `Fri Dec 15 15:14:57 GMT 2023`
Record UNII	N4Y9HDY9JI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SCOPOLAMINE 4-HYDROXYBENZOATE HYDROCHLORIDE

Common Name

English

SCOPOLAMINE P-HYDROXYBENZOATE HYDROCHLORIDE

Common Name

English

BENZENEACETIC ACID, .ALPHA.-(((4-HYDROXYBENZOYL)OXY)METHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, HYDROCHLORIDE, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-

Systematic Name

English

HYOSCINE P-HYDROXYBENZOATE HYDROCHLORIDE

Common Name

English

Code System Code Type Description

CAS

101541-11-1

Created by admin on Fri Dec 15 15:14:57 GMT 2023 , Edited by admin on Fri Dec 15 15:14:57 GMT 2023

PRIMARY

FDA UNII

N4Y9HDY9JI

Created by admin on Fri Dec 15 15:14:57 GMT 2023 , Edited by admin on Fri Dec 15 15:14:57 GMT 2023

PRIMARY

Related Record Type Details


					Q1DUQ1DX32

SCOPOLAMINE 4-HYDROXYBENZOATE

PARENT -> SALT/SOLVATE