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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18ClN3O2
Molecular Weight 295.765
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADR-851 FREE BASE

SMILES

NC1=C(Cl)C=C(C(=O)NC[C@@H]2CCCN2)C3=C1CCO3

InChI

InChIKey=MPECLPSCJHXWNO-QMMMGPOBSA-N
InChI=1S/C14H18ClN3O2/c15-11-6-10(13-9(12(11)16)3-5-20-13)14(19)18-7-8-2-1-4-17-8/h6,8,17H,1-5,7,16H2,(H,18,19)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H18ClN3O2
Molecular Weight 295.765
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:55:50 GMT 2023
Edited
by admin
on Sat Dec 16 09:55:50 GMT 2023
Record UNII
G7XD7M21JC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADR-851 FREE BASE
Code English
S-ADR-851
Code English
7-BENZOFURANCARBOXAMIDE, 4-AMINO-5-CHLORO-2,3-DIHYDRO-N-(2-PYRROLIDINYLMETHYL)-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
130054
Created by admin on Sat Dec 16 09:55:50 GMT 2023 , Edited by admin on Sat Dec 16 09:55:50 GMT 2023
PRIMARY
FDA UNII
G7XD7M21JC
Created by admin on Sat Dec 16 09:55:50 GMT 2023 , Edited by admin on Sat Dec 16 09:55:50 GMT 2023
PRIMARY
CAS
138559-56-5
Created by admin on Sat Dec 16 09:55:50 GMT 2023 , Edited by admin on Sat Dec 16 09:55:50 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT