U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19NO4.ClH
Molecular Weight 325.787
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORSCOPOLAMINE HYDROCHLORIDE

SMILES

Cl.OC[C@@H](C(=O)O[C@@H]1C[C@H]2N[C@@H](C1)[C@@H]3O[C@H]23)C4=CC=CC=C4

InChI

InChIKey=PMDQSBZXEATWCG-QSUBVURMSA-N
InChI=1S/C16H19NO4.ClH/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12;/h1-5,10-15,17-18H,6-8H2;1H/t10-,11-,12-,13+,14-,15+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C16H19NO4
Molecular Weight 289.3264
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 Sat Dec 16 09:05:18 GMT 2023
Edited
by admin
on Sat Dec 16 09:05:18 GMT 2023
Record UNII
GXS4T1A55N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NORSCOPOLAMINE HYDROCHLORIDE
Common Name English
1.ALPHA.H,5.ALPHA.H-NORTROPAN-3.ALPHA.-OL, 6.BETA.,7.BETA.-EPOXY-, (-)-TROPATE (ESTER), HYDROCHLORIDE
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 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
Code System Code Type Description
CAS
24676-80-0
Created by admin on Sat Dec 16 09:05:18 GMT 2023 , Edited by admin on Sat Dec 16 09:05:18 GMT 2023
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FDA UNII
GXS4T1A55N
Created by admin on Sat Dec 16 09:05:18 GMT 2023 , Edited by admin on Sat Dec 16 09:05:18 GMT 2023
PRIMARY
PUBCHEM
90479240
Created by admin on Sat Dec 16 09:05:18 GMT 2023 , Edited by admin on Sat Dec 16 09:05:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID50947618
Created by admin on Sat Dec 16 09:05:18 GMT 2023 , Edited by admin on Sat Dec 16 09:05:18 GMT 2023
PRIMARY