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

Details

Stereochemistry UNKNOWN
Molecular Formula C16H21NO3
Molecular Weight 275.3428
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-METHOXY PSEUDOTROPINE BENZOATE HYDROCHLORIDE

SMILES

COC1C[C@H]2C[C@@H](C[C@@H]1N2C)OC(=O)C3=CC=CC=C3

InChI

InChIKey=ZRVCPWWUTDVVKH-CXJJLCSMSA-N
InChI=1S/C16H21NO3/c1-17-12-8-13(10-14(17)15(9-12)19-2)20-16(18)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14+,15?/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H21NO3
Molecular Weight 275.3428
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:04:39 GMT 2023
Edited
by admin
on Fri Dec 15 15:04:39 GMT 2023
Record UNII
E3ES5M9UXE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-METHOXY PSEUDOTROPINE BENZOATE HYDROCHLORIDE
Common Name English
8-AZABICYCLO(3.2.1)OCTAN-3-OL, 6-METHOXY-8-METHYL-, 3-BENZOATE, HYDROCHLORIDE (1:1)
Systematic Name English
8-AZABICYCLO(3.2.1)OCTAN-3-OL, 6-METHOXY-8-METHYL-, BENZOATE (ESTER), HYDROCHLORIDE
Systematic Name English
6-METHOXYPSEUDOTROPINE-BENZOIC ACID ESTER HYDROCHLORIDE
Common Name English
1.ALPHA.H,5.ALPHA.H-TROPAN-3.BETA.-OL, 6-METHOXY-, BENZOATE (ESTER), HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
133082169
Created by admin on Fri Dec 15 15:04:40 GMT 2023 , Edited by admin on Fri Dec 15 15:04:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID80274904
Created by admin on Fri Dec 15 15:04:40 GMT 2023 , Edited by admin on Fri Dec 15 15:04:40 GMT 2023
PRIMARY
CAS
22194-31-6
Created by admin on Fri Dec 15 15:04:40 GMT 2023 , Edited by admin on Fri Dec 15 15:04:40 GMT 2023
PRIMARY
FDA UNII
E3ES5M9UXE
Created by admin on Fri Dec 15 15:04:40 GMT 2023 , Edited by admin on Fri Dec 15 15:04:40 GMT 2023
PRIMARY
CAS
22194-33-8
Created by admin on Fri Dec 15 15:04:40 GMT 2023 , Edited by admin on Fri Dec 15 15:04:40 GMT 2023
SUPERSEDED