MRS-2286

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H18ClN5O8P2
Molecular Weight	445.69
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC1=NC(Cl)=NC2=C1N=CN2CCC(COP(O)(O)=O)COP(O)(O)=O

InChI

InChIKey=PNKXGOOONVKRHI-UHFFFAOYSA-N

InChI=1S/C11H18ClN5O8P2/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)3-2-7(4-24-26(18,19)20)5-25-27(21,22)23/h6-7H,2-5H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)

HIDE SMILES / InChI

Molecular Formula	C11H18ClN5O8P2
Molecular Weight	445.69
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 `Wed Apr 02 10:41:55 GMT 2025` Edited by `admin` on `Wed Apr 02 10:41:55 GMT 2025`
Record UNII	4PGG7G4EZT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MRS-2286

Code

English

1,3-PROPANEDIOL, 2-(2-(2-CHLORO-6-(METHYLAMINO)-9H-PURIN-9-YL)ETHYL)-, 1,3-BIS(DIHYDROGEN PHOSPHATE)

Preferred Name

English

(4-(2-CHLORO-6-(METHYLAMINO)-9H-PURIN-9-YL)-2-((PHOSPHONOOXY)METHYL)BUTOXY)PHOSPHONIC ACID

Systematic Name

English

MRS2286

Code

English

1,3-PROPANEDIOL, 2-(2-(2-CHLORO-6-(METHYLAMINO)-9H-PURIN-9-YL)ETHYL)-, BIS(DIHYDROGEN PHOSPHATE) (ESTER)

Systematic Name

English

Code System Code Type Description

CAS

288318-05-8

Created by admin on Wed Apr 02 10:41:55 GMT 2025 , Edited by admin on Wed Apr 02 10:41:55 GMT 2025

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FDA UNII

4PGG7G4EZT

Created by admin on Wed Apr 02 10:41:55 GMT 2025 , Edited by admin on Wed Apr 02 10:41:55 GMT 2025

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PUBCHEM

10319421

Created by admin on Wed Apr 02 10:41:55 GMT 2025 , Edited by admin on Wed Apr 02 10:41:55 GMT 2025

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Related Record Type Details


					4PGG7G4EZT

MRS-2286

ACTIVE MOIETY