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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18Cl2N2O
Molecular Weight 301.212
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N‐Didesmethyl U‐47700

SMILES

CN([C@H]1CCCC[C@@H]1N)C(=O)C2=CC(Cl)=C(Cl)C=C2

InChI

InChIKey=PLSITOMJRRPKDL-STQMWFEESA-N
InChI=1S/C14H18Cl2N2O/c1-18(13-5-3-2-4-12(13)17)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13H,2-5,17H2,1H3/t12-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H18Cl2N2O
Molecular Weight 301.212
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:54:08 UTC 2023
Edited
by admin
on Sat Dec 16 19:54:08 UTC 2023
Record UNII
ZPV9S5NV9G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N‐Didesmethyl U‐47700
Common Name English
U-47700 metabolite M2
Common Name English
Benzamide, N-[(1R,2R)-2-aminocyclohexyl]-3,4-dichloro-N-methyl-, rel-
Systematic Name English
Didesmethyl U-47700
Common Name English
Code System Code Type Description
CAS
2616858-81-0
Created by admin on Sat Dec 16 19:54:08 UTC 2023 , Edited by admin on Sat Dec 16 19:54:08 UTC 2023
PRIMARY
PUBCHEM
167713309
Created by admin on Sat Dec 16 19:54:08 UTC 2023 , Edited by admin on Sat Dec 16 19:54:08 UTC 2023
PRIMARY
FDA UNII
ZPV9S5NV9G
Created by admin on Sat Dec 16 19:54:08 UTC 2023 , Edited by admin on Sat Dec 16 19:54:08 UTC 2023
PRIMARY
Related Record Type Details
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