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Details

Stereochemistry ACHIRAL
Molecular Formula C23H21Cl2N7O2
Molecular Weight 498.365
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4-(HYDROXYAMINO)-4-PIPERIDINECARBOXAMIDE

SMILES

NC(=O)C1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(Cl)C=C4)C5=CC=CC=C5Cl)NO

InChI

InChIKey=OGMVNQWAILJZON-UHFFFAOYSA-N
InChI=1S/C23H21Cl2N7O2/c24-14-5-7-15(8-6-14)32-19(16-3-1-2-4-17(16)25)29-18-20(27-13-28-21(18)32)31-11-9-23(30-34,10-12-31)22(26)33/h1-8,13,30,34H,9-12H2,(H2,26,33)

HIDE SMILES / InChI

Molecular Formula C23H21Cl2N7O2
Molecular Weight 498.365
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:08:31 UTC 2023
Edited
by admin
on Sat Dec 16 16:08:31 UTC 2023
Record UNII
6R4ERM9B2E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4-(HYDROXYAMINO)-4-PIPERIDINECARBOXAMIDE
Systematic Name English
4-PIPERIDINECARBOXAMIDE, 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4-(HYDROXYAMINO)-
Systematic Name English
CP-945,598 METABOLITE M3
Common Name English
Code System Code Type Description
CAS
1393643-00-9
Created by admin on Sat Dec 16 16:08:31 UTC 2023 , Edited by admin on Sat Dec 16 16:08:31 UTC 2023
PRIMARY
PUBCHEM
118753284
Created by admin on Sat Dec 16 16:08:31 UTC 2023 , Edited by admin on Sat Dec 16 16:08:31 UTC 2023
PRIMARY
FDA UNII
6R4ERM9B2E
Created by admin on Sat Dec 16 16:08:31 UTC 2023 , Edited by admin on Sat Dec 16 16:08:31 UTC 2023
PRIMARY
Related Record Type Details
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