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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19NO3
Molecular Weight 285.3377
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1R,2R,4S,5S,7S)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NONAN-7-YL 2-PHENYLACRYLATE

SMILES

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

InChI

InChIKey=JJNVDCBKBUSUII-JGPUMOJJSA-N
InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13-,14+,15-,16+

HIDE SMILES / InChI

Molecular Formula C17H19NO3
Molecular Weight 285.3377
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:45:40 UTC 2023
Edited
by admin
on Sat Dec 16 14:45:40 UTC 2023
Record UNII
RQ98RV32RG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1R,2R,4S,5S,7S)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NONAN-7-YL 2-PHENYLACRYLATE
Systematic Name English
APOHYOSCINE
Common Name English
BENZENEACETIC ACID, .ALPHA.-METHYLENE-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-
Systematic Name English
APOHYOSCINE [USP IMPURITY]
Common Name English
BENZENEACETIC ACID, .ALPHA.-METHYLENE-, (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
Systematic Name English
APOSCOPOLAMINE
Common Name English
Code System Code Type Description
FDA UNII
RQ98RV32RG
Created by admin on Sat Dec 16 14:45:40 UTC 2023 , Edited by admin on Sat Dec 16 14:45:40 UTC 2023
PRIMARY
CAS
535-26-2
Created by admin on Sat Dec 16 14:45:40 UTC 2023 , Edited by admin on Sat Dec 16 14:45:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP