LJ-529

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H18ClIN6O3S
Molecular Weight	560.796
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=C(Cl)N=C3NCC4=CC=CC(I)=C4

InChI

InChIKey=IRIUFVPPSHYZRM-PFHKOEEOSA-N

InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H18ClIN6O3S
Molecular Weight	560.796
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 23:27:05 GMT 2025` Edited by `admin` on `Mon Mar 31 23:27:05 GMT 2025`
Record UNII	Q768R9SQ5Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LJ-529

Code

English

(-)-LJ-529

Preferred Name

English

LJ529

Code

English

(2S,3S,4R,5R)-5-(2-CHLORO-6-(((3-IODOPHENYL)METHYL)AMINO)-9H-PURIN-9-YL)-3,4-DIHYDROXY-N-METHYLTHIOLANE-2-CARBOXAMIDE

Systematic Name

English

.BETA.-D-RIBOFURANURONAMIDE, 1-(2-CHLORO-6-(((3-IODOPHENYL)METHYL)AMINO)-9H-PURIN-9-YL)-1-DEOXY-N-METHYL-4-THIO-

Systematic Name

English

Code System Code Type Description

CAS

596103-01-4

Created by admin on Mon Mar 31 23:27:05 GMT 2025 , Edited by admin on Mon Mar 31 23:27:05 GMT 2025

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PUBCHEM

11813713

Created by admin on Mon Mar 31 23:27:05 GMT 2025 , Edited by admin on Mon Mar 31 23:27:05 GMT 2025

PRIMARY

FDA UNII

Q768R9SQ5Y

Created by admin on Mon Mar 31 23:27:05 GMT 2025 , Edited by admin on Mon Mar 31 23:27:05 GMT 2025

PRIMARY

Related Record Type Details


					Q768R9SQ5Y

LJ-529

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