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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
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
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
 2.0 nM [IC50]
Inhibitor
8297
 635.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:27 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:27 GMT 2023
Record UNII
D94V1GC7I3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERYTHRO-9-(2-HYDROXY-3-NONYL)ADENINE MONOHYDROCHLORIDE
Common Name English
RAC ERYTHRO-9-(2-HYDROXY-3-NONYL)ADENINE, HYDROCHLORIDE
Common Name English
ERYTHRO-9-(2-HYDROXY-3-NONYL)ADENINE MONOHYDROCHLORIDE, (±)-
Common Name English
ERYTHRO-9-(2-HYDROXY-3-NONYL)ADENINE HYDROCHLORIDE
Common Name English
9H-PURINE-9-ETHANOL, 6-AMINO-.BETA.-HEXYL-.ALPHA.-METHYL-, HYDROCHLORIDE (1:1), (.ALPHA.R,.BETA.S)-REL-
Systematic Name English
9-(2-HYDROXY-3-NONYL)ADENINE HYDROCHLORIDE, ERYTHRO-
Common Name English
NSC-263164
Code English
9H-PURINE-9-ETHANOL, 6-AMINO-.BETA.-HEXYL-.ALPHA.-METHYL-, MONOHYDROCHLORIDE, (R*,S*)-
Systematic Name English
EHNA HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
D94V1GC7I3
Created by admin on Sat Dec 16 11:16:27 GMT 2023 , Edited by admin on Sat Dec 16 11:16:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID9040473
Created by admin on Sat Dec 16 11:16:27 GMT 2023 , Edited by admin on Sat Dec 16 11:16:27 GMT 2023
PRIMARY
NSC
263164
Created by admin on Sat Dec 16 11:16:27 GMT 2023 , Edited by admin on Sat Dec 16 11:16:27 GMT 2023
PRIMARY
PUBCHEM
11957547
Created by admin on Sat Dec 16 11:16:27 GMT 2023 , Edited by admin on Sat Dec 16 11:16:27 GMT 2023
PRIMARY
CAS
59262-87-2
Created by admin on Sat Dec 16 11:16:27 GMT 2023 , Edited by admin on Sat Dec 16 11:16:27 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CHEBI
64139
Created by admin on Sat Dec 16 11:16:27 GMT 2023 , Edited by admin on Sat Dec 16 11:16:27 GMT 2023
PRIMARY
CAS
58337-38-5
Created by admin on Sat Dec 16 11:16:27 GMT 2023 , Edited by admin on Sat Dec 16 11:16:27 GMT 2023
PRIMARY
CAS
55601-18-8
Created by admin on Sat Dec 16 11:16:27 GMT 2023 , Edited by admin on Sat Dec 16 11:16:27 GMT 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
Structure of ERYTHRO-9-(2-HYDROXY-3-NONYL)ADENINE MONOHYDROCHLORIDE, (-)-
ENANTIOMER -> RACEMATE
NIH
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