2-Chloro-2′-deoxyadenosine 5′-triphosphate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H15ClN5O12P3
Molecular Weight	525.627
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Chloro-2′-deoxyadenosine 5′-triphosphate

Structure Search

SMILES

NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N1

InChI

InChIKey=PZCJNHCKXRBBNN-KVQBGUIXSA-N

InChI=1S/C10H15ClN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H15ClN5O12P3
Molecular Weight	525.627
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:42:54 GMT 2023` Edited by `admin` on `Sat Dec 16 15:42:54 GMT 2023`
Record UNII	DCX7XZ96Y2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Chloro-2′-deoxyadenosine 5′-triphosphate

Common Name

English

2-Chloro-2′-deoxyadenosine 5′-(tetrahydrogen triphosphate

Common Name

English

2-Chloro-2'-Deoxyadenosine Triphosphate

Common Name

English

({[({[(2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Systematic Name

English

Cladribine triphosphate

Common Name

English

Adenosine 5′-(tetrahydrogen triphosphate), 2-chloro-2′-deoxy-

Common Name

English

[[(2r,3s,5r)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60910156

Created by admin on Sat Dec 16 15:42:54 GMT 2023 , Edited by admin on Sat Dec 16 15:42:54 GMT 2023

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PUBCHEM

452857

Created by admin on Sat Dec 16 15:42:54 GMT 2023 , Edited by admin on Sat Dec 16 15:42:54 GMT 2023

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FDA UNII

DCX7XZ96Y2

Created by admin on Sat Dec 16 15:42:54 GMT 2023 , Edited by admin on Sat Dec 16 15:42:54 GMT 2023

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CAS

106867-30-5

Created by admin on Sat Dec 16 15:42:54 GMT 2023 , Edited by admin on Sat Dec 16 15:42:54 GMT 2023

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