SCOPOLAMINE SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C17H21NO4.H2O4S
Molecular Weight	704.784
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](CO)C4=CC=CC=C4.[H][C@@]56O[C@]5([H])[C@H]7C[C@H](C[C@@H]6N7C)OC(=O)[C@H](CO)C8=CC=CC=C8

InChI

InChIKey=UULBEDNYEVWASY-SZKJRWIMSA-N

InChI=1S/2C17H21NO4.H2O4S/c2*1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;1-5(2,3)4/h2*2-6,11-16,19H,7-9H2,1H3;(H2,1,2,3,4)/t2*11-,12-,13-,14+,15-,16+;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C17H21NO4
Molecular Weight	303.3529
Charge	0
Count

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

Molecular Formula	H2O4S
Molecular Weight	98.078
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 15:15:01 GMT 2023` Edited by `admin` on `Fri Dec 15 15:15:01 GMT 2023`
Record UNII	SU7QP314L1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCOPOLAMINE SULFATE

Common Name

English

BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 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.))-, SULFATE (2:1) (SALT)

Common Name

English

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

Common Name

English

SCOPOLAMINE SULPHATE

Common Name

English

Code System Code Type Description

CAS

25333-70-4

Created by admin on Fri Dec 15 15:15:01 GMT 2023 , Edited by admin on Fri Dec 15 15:15:01 GMT 2023

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PUBCHEM

71587067

Created by admin on Fri Dec 15 15:15:01 GMT 2023 , Edited by admin on Fri Dec 15 15:15:01 GMT 2023

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FDA UNII

SU7QP314L1

Created by admin on Fri Dec 15 15:15:01 GMT 2023 , Edited by admin on Fri Dec 15 15:15:01 GMT 2023

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Related Record Type Details


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SCOPOLAMINE

PARENT -> SALT/SOLVATE