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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18Cl2N2O
Molecular Weight 313.222
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXALDEHYDE, 3-(3,4-DICHLOROPHENYL)-8-METHYL-, E-OXIME, (1R-(1.ALPHA.,2.BETA.(E),3.ALPHA.,5.ALPHA.))-

SMILES

CN1[C@H]2CC[C@@H]1[C@H](\C=N\O)[C@H](C2)C3=CC=C(Cl)C(Cl)=C3

InChI

InChIKey=PQGYICACOSZSFB-WMGZZIQCSA-N
InChI=1S/C15H18Cl2N2O/c1-19-10-3-5-15(19)12(8-18-20)11(7-10)9-2-4-13(16)14(17)6-9/h2,4,6,8,10-12,15,20H,3,5,7H2,1H3/b18-8+/t10-,11+,12+,15+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXALDEHYDE, 3-(3,4-DICHLOROPHENYL)-8-METHYL-, E-OXIME, (1R-(1.ALPHA.,2.BETA.(E),3.ALPHA.,5.ALPHA.))-
Systematic Name English
O-DESMETHYL BRASOFENSINE
Common Name English
ODME
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXALDEHYDE, 3-(3,4-DICHLOROPHENYL)-8-METHYL-, E-OXIME, (C(E),1R,2R,3S,5S)-
Systematic Name English
BMS-282697
Common Name English
Code System Code Type Description
FDA UNII
XXV48G8RDT
Created by admin on Sat Dec 16 16:32:20 GMT 2023 , Edited by admin on Sat Dec 16 16:32:20 GMT 2023
PRIMARY
CAS
173668-02-5
Created by admin on Sat Dec 16 16:32:20 GMT 2023 , Edited by admin on Sat Dec 16 16:32:20 GMT 2023
PRIMARY
PUBCHEM
87463682
Created by admin on Sat Dec 16 16:32:20 GMT 2023 , Edited by admin on Sat Dec 16 16:32:20 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BRASOFENSINE
NIH
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