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Details

Stereochemistry RACEMIC
Molecular Formula C14H15N7O.2ClH
Molecular Weight 370.237
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KR-60436

SMILES

Cl.Cl.O=C(CNCCNC1=CC=C(C=N1)C#N)N2N=CCC2C#N

InChI

InChIKey=BJZVCDOBOVMQCV-UHFFFAOYSA-N
InChI=1S/C14H15N7O.2ClH/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21;;/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H15N7O
Molecular Weight 297.3152
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:41 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:41 GMT 2023
Record UNII
95UIA575ZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KR-60436
Common Name English
3-PYRIDINECARBONITRILE, 6-((2-((2-(5-CYANO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-2-OXOETHYL)AMINO)ETHYL)AMINO)-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
95UIA575ZG
Created by admin on Sat Dec 16 09:27:41 GMT 2023 , Edited by admin on Sat Dec 16 09:27:41 GMT 2023
PRIMARY
CAS
1049741-98-1
Created by admin on Sat Dec 16 09:27:41 GMT 2023 , Edited by admin on Sat Dec 16 09:27:41 GMT 2023
PRIMARY
PUBCHEM
16078982
Created by admin on Sat Dec 16 09:27:41 GMT 2023 , Edited by admin on Sat Dec 16 09:27:41 GMT 2023
PRIMARY
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