DIHYDROXYPROPYLTHEOBROMINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H14N4O4
Molecular Weight	254.2426
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIHYDROXYPROPYLTHEOBROMINE

Structure Search

SMILES

CN1C=NC2=C1C(=O)N(CC(O)CO)C(=O)N2C

InChI

InChIKey=RRBSZTYIWIHPST-UHFFFAOYSA-N

InChI=1S/C10H14N4O4/c1-12-5-11-8-7(12)9(17)14(3-6(16)4-15)10(18)13(8)2/h5-6,15-16H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H14N4O4
Molecular Weight	254.2426
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:37:50 GMT 2023` Edited by `admin` on `Sat Dec 16 08:37:50 GMT 2023`
Record UNII	SU17H31P26
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DIHYDROXYPROPYLTHEOBROMINE

Systematic Name

English

THEOBROMINE, 1-(2,3-DIHYDROXYPROPYL)-

Systematic Name

English

1-(2,3-DIHYDROXYPROPYL)THEOBROMINE

Systematic Name

English

ISOBROMIN

Common Name

English

THEOCARDINE

Common Name

English

1H-PURINE-2,6-DIONE, 1-(2,3-DIHYDROXYPROPYL)-3,7-DIHYDRO-3,7-DIMETHYL-

Systematic Name

English

THEOCARDIN

Common Name

English

NSC-515487

Code

English

Code System Code Type Description

EPA CompTox

DTXSID001043055

Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023

PRIMARY

NSC

515487

Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023

PRIMARY

FDA UNII

SU17H31P26

Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023

PRIMARY

ECHA (EC/EINECS)

236-660-3

Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023

PRIMARY

PUBCHEM

101172

Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023

PRIMARY

CAS

13460-96-3

Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023

PRIMARY

Related Record Type Details


					SU17H31P26

DIHYDROXYPROPYLTHEOBROMINE

ACTIVE MOIETY