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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20Cl2N2O
Molecular Weight 327.249
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-, O-METHYLOXIME, (C(Z),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)N2C

InChI

InChIKey=NRLIFEGHTNUYFL-XNHKOILRSA-N
InChI=1S/C16H20Cl2N2O/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3/b19-9-/t11-,12+,13+,16+/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-, O-METHYLOXIME, (C(Z),1R,2R,3S,5S)-
Systematic Name English
BMS 205912
Common Name English
BMS-205912
Common Name English
Code System Code Type Description
PUBCHEM
6509870
Created by admin on Sat Dec 16 16:54:18 GMT 2023 , Edited by admin on Sat Dec 16 16:54:18 GMT 2023
PRIMARY
CAS
173830-25-6
Created by admin on Sat Dec 16 16:54:18 GMT 2023 , Edited by admin on Sat Dec 16 16:54:18 GMT 2023
PRIMARY
FDA UNII
QP28R24RV8
Created by admin on Sat Dec 16 16:54:18 GMT 2023 , Edited by admin on Sat Dec 16 16:54:18 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BRASOFENSINE
NIH
NCATS
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