NNC-21-0136

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21ClN6O4S2
Molecular Weight	509.002
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](CSC1=NC2=C(S1)C=CC=C2)NC3=NC(Cl)=NC4=C3N=CN4[C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O

InChI

InChIKey=VFEGXMIJIICQBD-SRNJXLPISA-N

InChI=1S/C20H21ClN6O4S2/c1-9(7-32-20-24-10-4-2-3-5-12(10)33-20)23-16-13-17(26-19(21)25-16)27(8-22-13)18-15(30)14(29)11(6-28)31-18/h2-5,8-9,11,14-15,18,28-30H,6-7H2,1H3,(H,23,25,26)/t9-,11-,14-,15-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H21ClN6O4S2
Molecular Weight	509.002
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:41:48 GMT 2025` Edited by `admin` on `Mon Mar 31 22:41:48 GMT 2025`
Record UNII	JH2L6G2J82
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADENOSINE, N-((1R)-2-(2-BENZOTHIAZOLYLTHIO)-1-METHYLETHYL)-2-CHLORO-

Preferred Name

English

NNC-21-0136

Code

English

NNC21-0136

Code

English

2-CHLORO-N6-(2-(2-BENZOTHIAZOLYLSULFANYL)-1(R)-METHYLETHYL)ADENOSINE

Systematic Name

English

ADENOSINE, N-(2-(2-BENZOTHIAZOLYLTHIO)-1-METHYLETHYL)-2-CHLORO-, (R)-

Systematic Name

English

N-((1R)-2-(2-BENZOTHIAZOLYLTHIO)-1-METHYLETHYL)-2-CHLOROADENOSINE

Systematic Name

English

(2R,3R,4S,5R)-2-(6-(((2R)-1-(1,3-BENZOTHIAZOL-2-YLSULFANYL)PROPAN-2-YL)AMINO)-2-CHLORO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL

Systematic Name

English

Code System Code Type Description

FDA UNII

JH2L6G2J82

Created by admin on Mon Mar 31 22:41:48 GMT 2025 , Edited by admin on Mon Mar 31 22:41:48 GMT 2025

PRIMARY

CAS

162684-35-7

Created by admin on Mon Mar 31 22:41:48 GMT 2025 , Edited by admin on Mon Mar 31 22:41:48 GMT 2025

PRIMARY

PUBCHEM

9936084

Created by admin on Mon Mar 31 22:41:48 GMT 2025 , Edited by admin on Mon Mar 31 22:41:48 GMT 2025

PRIMARY

Related Record Type Details


					JH2L6G2J82

NNC-21-0136

ACTIVE MOIETY