8-(NONYLTHIO)-CAFFEINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H28N4O2S
Molecular Weight	352.495
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(NONYLTHIO)-CAFFEINE

Structure Search

SMILES

CCCCCCCCCSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=SXZNHFFRABVGJZ-UHFFFAOYSA-N

InChI=1S/C17H28N4O2S/c1-5-6-7-8-9-10-11-12-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C17H28N4O2S
Molecular Weight	352.495
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 12:43:22 GMT 2023` Edited by `admin` on `Sat Dec 16 12:43:22 GMT 2023`
Record UNII	LQ3S9Q19XC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

8-(NONYLTHIO)-CAFFEINE

Systematic Name

English

NSC-81488

Code

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-8-(NONYLTHIO)-

Systematic Name

English

Code System Code Type Description

NSC

81488

Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023

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FDA UNII

LQ3S9Q19XC

Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023

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CAS

73747-38-3

Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023

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EPA CompTox

DTXSID70224074

Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023

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PUBCHEM

52359

Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023

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