1,3-Dimethylalloxan

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6N2O4
Molecular Weight	170.1228
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3-Dimethylalloxan

Structure Search

SMILES

CN1C(=O)N(C)C(=O)C(=O)C1=O

InChI

InChIKey=KUCNNTLJQCDKEI-UHFFFAOYSA-N

InChI=1S/C6H6N2O4/c1-7-4(10)3(9)5(11)8(2)6(7)12/h1-2H3

HIDE SMILES / InChI

Molecular Formula	C6H6N2O4
Molecular Weight	170.1228
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 `Tue Apr 01 19:22:05 GMT 2025` Edited by `admin` on `Tue Apr 01 19:22:05 GMT 2025`
Record UNII	Y6YR3BT6HN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-7371

Preferred Name

English

1,3-Dimethylalloxan

Systematic Name

English

1,3-Dimethyl-2,4,5,6(1H,3H)-pyrimidinetetrone

Systematic Name

English

1,3-Dimethyl-1,3-diazinane-2,4,5,6-tetrone

Systematic Name

English

2,4,5,6(1H,3H)-Pyrimidinetetrone, 1,3-dimethyl-

Systematic Name

English

Alloxan, 1,3-dimethyl-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

220-417-3

Created by admin on Tue Apr 01 19:22:05 GMT 2025 , Edited by admin on Tue Apr 01 19:22:05 GMT 2025

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CAS

2757-85-9

Created by admin on Tue Apr 01 19:22:05 GMT 2025 , Edited by admin on Tue Apr 01 19:22:05 GMT 2025

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PUBCHEM

75992

Created by admin on Tue Apr 01 19:22:05 GMT 2025 , Edited by admin on Tue Apr 01 19:22:05 GMT 2025

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FDA UNII

Y6YR3BT6HN

Created by admin on Tue Apr 01 19:22:05 GMT 2025 , Edited by admin on Tue Apr 01 19:22:05 GMT 2025

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EPA CompTox

DTXSID30181972

Created by admin on Tue Apr 01 19:22:05 GMT 2025 , Edited by admin on Tue Apr 01 19:22:05 GMT 2025

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NSC

7371

Created by admin on Tue Apr 01 19:22:05 GMT 2025 , Edited by admin on Tue Apr 01 19:22:05 GMT 2025

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