U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H23N5O.ClH
Molecular Weight 313.826
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERYTHRO-9-(2-HYDROXY-3-NONYL)ADENINE MONOHYDROCHLORIDE, (-)-

SMILES

Cl.CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C1N=CN=C2N

InChI

InChIKey=VVDXNJRUNJMYOZ-DHXVBOOMSA-N
InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C14H23N5O
Molecular Weight 277.3653
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
2.0 nM [IC50]
635.0 nM [IC50]
2.0 nM [Ki]
0.8 µM [IC50]
Substance Class Chemical
Record UNII
UGQ2ATP3NK
Record Status Validated (UNII)
Record Version