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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11N7O.2ClH
Molecular Weight 354.195
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVOTACICLIB DIHYDROCHLORIDE

SMILES

Cl.Cl.NC1=NC=CC(=N1)C2=NC(=C(O)C=C2)C3=NC(N)=NC=C3

InChI

InChIKey=VDNURDZCMKHSHC-UHFFFAOYSA-N
InChI=1S/C13H11N7O.2ClH/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9;;/h1-6,21H,(H2,14,16,19)(H2,15,17,20);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 C13H11N7O
Molecular Weight 281.2727
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 18:32:40 UTC 2023
Edited
by admin
on Sat Dec 16 18:32:40 UTC 2023
Record UNII
LX4BQ9YN2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVOTACICLIB DIHYDROCHLORIDE
Common Name English
3-PYRIDINOL, 2,6-BIS(2-AMINO-4-PYRIMIDINYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
2,6-BIS(2-AMINOPYRIMIDIN-4-YL)PYRIDIN-3-OL DIHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
2451957-59-6
Created by admin on Sat Dec 16 18:32:40 UTC 2023 , Edited by admin on Sat Dec 16 18:32:40 UTC 2023
PRIMARY
FDA UNII
LX4BQ9YN2J
Created by admin on Sat Dec 16 18:32:40 UTC 2023 , Edited by admin on Sat Dec 16 18:32:40 UTC 2023
PRIMARY
PUBCHEM
155928907
Created by admin on Sat Dec 16 18:32:40 UTC 2023 , Edited by admin on Sat Dec 16 18:32:40 UTC 2023
PRIMARY
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