1,8-ETHENO-2,3,6,7-BENZOTETRAZECINE-4,5-DIOL

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H6N4O2
Molecular Weight	238.2016
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,8-ETHENO-2,3,6,7-BENZOTETRAZECINE-4,5-DIOL

Structure Search

SMILES

O=C1C(=O)\N=N\C2=C3C=CC=CC3=C(C=C2)\N=N\1

InChI

InChIKey=IPHFJFIFNLCUQS-UHFFFAOYSA-N

InChI=1S/C12H8N4O2/c17-11-12(18)16-14-10-6-5-9(13-15-11)7-3-1-2-4-8(7)10/h1-6H,(H,15,17)(H,16,18)

HIDE SMILES / InChI

Molecular Formula	C12H6N4O2
Molecular Weight	238.2016
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 20:23:39 GMT 2025` Edited by `admin` on `Tue Apr 01 20:23:39 GMT 2025`
Record UNII	RG80777235
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-56299

Preferred Name

English

1,8-ETHENO-2,3,6,7-BENZOTETRAZECINE-4,5-DIOL

Systematic Name

English

1,8-ETHENO-2,3,6,7-BENZOTETRAZECINE-4,5-DIONE, 3,6-DIHYDRO-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70219748

Created by admin on Tue Apr 01 20:23:39 GMT 2025 , Edited by admin on Tue Apr 01 20:23:39 GMT 2025

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PUBCHEM

6399099

Created by admin on Tue Apr 01 20:23:39 GMT 2025 , Edited by admin on Tue Apr 01 20:23:39 GMT 2025

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CAS

6951-58-2

Created by admin on Tue Apr 01 20:23:39 GMT 2025 , Edited by admin on Tue Apr 01 20:23:39 GMT 2025

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NSC

56299

Created by admin on Tue Apr 01 20:23:39 GMT 2025 , Edited by admin on Tue Apr 01 20:23:39 GMT 2025

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FDA UNII

RG80777235

Created by admin on Tue Apr 01 20:23:39 GMT 2025 , Edited by admin on Tue Apr 01 20:23:39 GMT 2025

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