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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22NO3
Molecular Weight 300.3722
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of APOMETHSCOPOLAMINE

SMILES

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

InChI

InChIKey=VXYMKQUJMGDFMZ-FHORWPOSSA-N
InChI=1S/C18H22NO3/c1-11(12-7-5-4-6-8-12)18(20)21-13-9-14-16-17(22-16)15(10-13)19(14,2)3/h4-8,13-17H,1,9-10H2,2-3H3/q+1/t13-,14-,15+,16-,17+

HIDE SMILES / InChI

Molecular Formula C18H22NO3
Molecular Weight 300.3722
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:57:51 GMT 2025
Edited
by admin
on Wed Apr 02 10:57:51 GMT 2025
Record UNII
N28KMN7MEX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APOMETHSCOPOLAMINE
Common Name English
N-METHYLAPOSCOPOLAMINE
Preferred Name English
(1R,2R,4S,5S,7S)-9,9-DIMETHYL-7-((2-PHENYLACRYLOYL)OXY)-3-OXA-9-AZATRICYCLO(3.3.1.0(SUP 2,4))NONAN-9-IUM
Systematic Name English
Code System Code Type Description
FDA UNII
N28KMN7MEX
Created by admin on Wed Apr 02 10:57:51 GMT 2025 , Edited by admin on Wed Apr 02 10:57:51 GMT 2025
PRIMARY
CAS
79027-57-9
Created by admin on Wed Apr 02 10:57:51 GMT 2025 , Edited by admin on Wed Apr 02 10:57:51 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
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