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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H35NO7.ClH
Molecular Weight 461.977
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMOPROXAN HYDROCHLORIDE, (S)-

SMILES

Cl.COC1=CC(=CC(OC)=C1OC)C(=O)O[C@H](COCCC(C)C)CN2CCOCC2

InChI

InChIKey=HKTUGQIHGLSWGU-FERBBOLQSA-N
InChI=1S/C22H35NO7.ClH/c1-16(2)6-9-29-15-18(14-23-7-10-28-11-8-23)30-22(24)17-12-19(25-3)21(27-5)20(13-17)26-4;/h12-13,16,18H,6-11,14-15H2,1-5H3;1H/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C22H35NO7
Molecular Weight 425.5158
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
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 10:49:56 GMT 2023
Edited
by admin
on Sat Dec 16 10:49:56 GMT 2023
Record UNII
UV6B581W9P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMOPROXAN HYDROCHLORIDE, (S)-
Common Name English
BENZOIC ACID, 3,4,5-TRIMETHOXY-, 1-((3-METHYLBUTOXY)METHYL)-2-(4-MORPHOLINYL)ETHYL ESTER, HYDROCHLORIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
UV6B581W9P
Created by admin on Sat Dec 16 10:49:56 GMT 2023 , Edited by admin on Sat Dec 16 10:49:56 GMT 2023
PRIMARY
PUBCHEM
76967159
Created by admin on Sat Dec 16 10:49:56 GMT 2023 , Edited by admin on Sat Dec 16 10:49:56 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER