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Details

Stereochemistry RACEMIC
Molecular Formula C14H23N5O.ClH
Molecular Weight 313.826
Optical Activity ( + / - )
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 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

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

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
D94V1GC7I3
Record Status Validated (UNII)
Record Version