MRS-2500

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H18IN5O8P2
Molecular Weight	561.1627
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC1=NC(I)=NC2=C1N=CN2[C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34

InChI

InChIKey=NMVWLEUONAKGCD-SMWKGLLFSA-N

InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H18IN5O8P2
Molecular Weight	561.1627
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:05:57 GMT 2025` Edited by `admin` on `Mon Mar 31 22:05:57 GMT 2025`
Record UNII	DWQ8UHZ38S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MRS-2500

Code

English

BICYCLO(3.1.0)HEXANE-1-METHANOL, 4-(2-IODO-6-(METHYLAMINO)-9H-PURIN-9-YL)-2-(PHOSPHONOOXY)-, 1-(DIHYDROGEN PHOSPHATE), (1R,2S,4S,5S)-

Preferred Name

English

BICYCLO(3.1.0)HEXANE-1-METHANOL, 4-(2-IODO-6-(METHYLAMINO)-9H-PURIN-9-YL)-2-(PHOSPHONOOXY)-, DIHYDROGEN PHOSPHATE (ESTER), (1R,2S,4S,5S)-

Systematic Name

English

MRS2500

Code

English

((1R,2S,4S,5S)-4-(2-IODO-6-(METHYLAMINO)-9H-PURIN-9-YL)-2-(PHOSPHONOOXY)BICYCLO(3.1.0)HEX-1-YL)METHYL DIHYDROGEN PHOSPHATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

44448831

Created by admin on Mon Mar 31 22:05:57 GMT 2025 , Edited by admin on Mon Mar 31 22:05:57 GMT 2025

PRIMARY

CAS

779323-43-2

Created by admin on Mon Mar 31 22:05:57 GMT 2025 , Edited by admin on Mon Mar 31 22:05:57 GMT 2025

PRIMARY

FDA UNII

DWQ8UHZ38S

Created by admin on Mon Mar 31 22:05:57 GMT 2025 , Edited by admin on Mon Mar 31 22:05:57 GMT 2025

PRIMARY

Related Record Type Details


					DWQ8UHZ38S

MRS-2500

ACTIVE MOIETY