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Details

Stereochemistry ACHIRAL
Molecular Formula C18H23ClN2O2
Molecular Weight 334.84
Optical Activity NONE
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0
Stereo Comments Meso

SHOW SMILES / InChI
Structure of N-DESMETHYL-ZATOSETRON

SMILES

CC1(C)CC2=C(O1)C(=CC(Cl)=C2)C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4

InChI

InChIKey=QMOMUISEPCMZDH-WDNDVIMCSA-N
InChI=1S/C18H23ClN2O2/c1-18(2)9-10-5-11(19)6-15(16(10)23-18)17(22)21-14-7-12-3-4-13(8-14)20-12/h5-6,12-14,20H,3-4,7-9H2,1-2H3,(H,21,22)/t12-,13+,14+

HIDE SMILES / InChI

Molecular Formula C18H23ClN2O2
Molecular Weight 334.84
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:35:07 UTC 2023
Edited
by admin
on Sat Dec 16 15:35:07 UTC 2023
Record UNII
J3DMW4P6CS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL-ZATOSETRON
Common Name English
N-((1S,5R)-8-AZABICYCLO(3.2.1)OCTAN-3-YL)-5-CHLORO-2,2-DIMETHYL-3H-BENZOFURAN-7-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
J3DMW4P6CS
Created by admin on Sat Dec 16 15:35:08 UTC 2023 , Edited by admin on Sat Dec 16 15:35:08 UTC 2023
PRIMARY
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