ICAPAMESPIB I-124

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H23IN6O2S
Molecular Weight	523.396
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)CNCCN1C(SC2=C([124I])C=C3OCOC3=C2)=NC4=C1N=CN=C4N

InChI

InChIKey=UYODNJZBUUEXPC-ZEMUAQPOSA-N

InChI=1S/C19H23IN6O2S/c1-19(2,3)8-22-4-5-26-17-15(16(21)23-9-24-17)25-18(26)29-14-7-13-12(6-11(14)20)27-10-28-13/h6-7,9,22H,4-5,8,10H2,1-3H3,(H2,21,23,24)/i20-3

HIDE SMILES / InChI

Molecular Formula	C19H23IN6O2S
Molecular Weight	523.396
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 `Sat Dec 16 11:31:18 GMT 2023` Edited by `admin` on `Sat Dec 16 11:31:18 GMT 2023`
Record UNII	Q1J3TQ99O2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ICAPAMESPIB I-124

Common Name

English

9H-PURINE-9-ETHANAMINE, 6-AMINO-N-(2,2-DIMETHYLPROPYL)-8-((6-(IODO-124I)-1,3-BENZODIOXOL-5-YL)THIO)-

Common Name

English

8-((6-(124I)-IODOBENZO(D)(1,3)DIOXOL-5-YL)THIO)-9-(2-NEOPENTYLAMINO)ETHYL)-9H-PURIN-6-AMINE

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C128487

Created by admin on Sat Dec 16 11:31:18 GMT 2023 , Edited by admin on Sat Dec 16 11:31:18 GMT 2023

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FDA UNII

Q1J3TQ99O2

Created by admin on Sat Dec 16 11:31:18 GMT 2023 , Edited by admin on Sat Dec 16 11:31:18 GMT 2023

PRIMARY

CAS

1450804-65-5

Created by admin on Sat Dec 16 11:31:18 GMT 2023 , Edited by admin on Sat Dec 16 11:31:18 GMT 2023

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PUBCHEM

90364125

Created by admin on Sat Dec 16 11:31:18 GMT 2023 , Edited by admin on Sat Dec 16 11:31:18 GMT 2023

PRIMARY

Related Record Type Details


					Q1J3TQ99O2

ICAPAMESPIB I-124

ACTIVE MOIETY