Theophylline, 8-propylthio-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H14N4O2S
Molecular Weight	254.309
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Theophylline, 8-propylthio-

Structure Search

SMILES

CCCSC1=NC2=C(N1)N(C)C(=O)N(C)C2=O

InChI

InChIKey=RFPGEDDGVUAZQE-UHFFFAOYSA-N

InChI=1S/C10H14N4O2S/c1-4-5-17-9-11-6-7(12-9)13(2)10(16)14(3)8(6)15/h4-5H2,1-3H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C10H14N4O2S
Molecular Weight	254.309
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 12:45:57 GMT 2023` Edited by `admin` on `Sat Dec 16 12:45:57 GMT 2023`
Record UNII	DQ7V4P2ER5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Theophylline, 8-propylthio-

Systematic Name

English

3,9-Dihydro-1,3-dimethyl-8-(propylthio)-1H-purine-2,6-dione

Systematic Name

English

Theophylline, (8-propylthio)-

Systematic Name

English

1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-(propylthio)-

Systematic Name

English

NSC-77337

Code

English

Code System Code Type Description

PUBCHEM

96513

Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023

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FDA UNII

DQ7V4P2ER5

Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023

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CAS

73908-84-6

Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023

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EPA CompTox

DTXSID30995051

Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023

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NSC

77337

Created by admin on Sat Dec 16 12:45:57 GMT 2023 , Edited by admin on Sat Dec 16 12:45:57 GMT 2023

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