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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)-, O-METHYLOXIME, (C(E),1R,2R,3S,5S)-

SMILES

CO\N=C\[C@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC=C(Cl)C(Cl)=C3)N2

InChI

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

HIDE SMILES / InChI

Molecular Formula C15H18Cl2N2O
Molecular Weight 313.222
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:42 UTC 2023
Edited
by admin
on Sat Dec 16 16:33:42 UTC 2023
Record UNII
J3QY6NWV82
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXALDEHYDE, 3-(3,4-DICHLOROPHENYL)-, O-METHYLOXIME, (C(E),1R,2R,3S,5S)-
Systematic Name English
N-DESMETHYL BRASOFENSINE
Common Name English
NS 2262
Common Name English
NDME
Common Name English
BMS-212702
Common Name English
Code System Code Type Description
CAS
200558-52-7
Created by admin on Sat Dec 16 16:33:42 UTC 2023 , Edited by admin on Sat Dec 16 16:33:42 UTC 2023
PRIMARY
PUBCHEM
15322312
Created by admin on Sat Dec 16 16:33:42 UTC 2023 , Edited by admin on Sat Dec 16 16:33:42 UTC 2023
PRIMARY
FDA UNII
J3QY6NWV82
Created by admin on Sat Dec 16 16:33:42 UTC 2023 , Edited by admin on Sat Dec 16 16:33:42 UTC 2023
PRIMARY
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