SCOPOLAMINE 4-HYDROXYBENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25NO6
Molecular Weight	423.4584
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SCOPOLAMINE 4-HYDROXYBENZOATE

Structure Search

SMILES

CN1[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@@H]23)OC(=O)[C@H](COC(=O)C4=CC=C(O)C=C4)C5=CC=CC=C5

InChI

InChIKey=JBQKFJMIIHCCJI-JOLMYRCBSA-N

InChI=1S/C24H25NO6/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/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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:37:29 GMT 2025` Edited by `admin` on `Tue Apr 01 22:37:29 GMT 2025`
Record UNII	Q1DUQ1DX32
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HYOSCINE P-HYDROXYBENZOATE

Preferred Name

English

SCOPOLAMINE 4-HYDROXYBENZOATE

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, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-

Systematic Name

English

SCOPOLAMINE P-HYDROXYBENZOATE

Common Name

English

Code System Code Type Description

FDA UNII

Q1DUQ1DX32

Created by admin on Tue Apr 01 22:37:29 GMT 2025 , Edited by admin on Tue Apr 01 22:37:29 GMT 2025

PRIMARY

CAS

101412-50-4

Created by admin on Tue Apr 01 22:37:29 GMT 2025 , Edited by admin on Tue Apr 01 22:37:29 GMT 2025

PRIMARY

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SALT/SOLVATE -> PARENT