AEROPHOBIN 1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H16Br2N4O4
Molecular Weight	476.12
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCC3=CN=CN3)C=C1Br

InChI

InChIKey=MDUQIEXQKMPARD-DZGCQCFKSA-N

InChI=1S/C15H16Br2N4O4/c1-24-12-9(16)4-15(13(22)11(12)17)5-10(21-25-15)14(23)19-3-2-8-6-18-7-20-8/h4,6-7,13,22H,2-3,5H2,1H3,(H,18,20)(H,19,23)/t13-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H16Br2N4O4
Molecular Weight	476.12
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:26:49 GMT 2023` Edited by `admin` on `Sat Dec 16 16:26:49 GMT 2023`
Record UNII	8T9Z8LWD8J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AEROPHOBIN 1

Common Name

English

1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE, 7,9-DIBROMO-10-HYDROXY-N-(2-(1H-IMIDAZOL-4-YL)ETHYL)-8-METHOXY-, (5S,6R)-

Systematic Name

English

(5R,6S)-7,9-BIS(BROMANYL)-N-(2-(1H-IMIDAZOL-5-YL)ETHYL)-8-METHOXY-6-OXIDANYL-1-OXA-2-AZASPIRO(4.5)DECA-2,7,9-TRIENE-3-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

10050645

Created by admin on Sat Dec 16 16:26:49 GMT 2023 , Edited by admin on Sat Dec 16 16:26:49 GMT 2023

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EPA CompTox

DTXSID60434761

Created by admin on Sat Dec 16 16:26:49 GMT 2023 , Edited by admin on Sat Dec 16 16:26:49 GMT 2023

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CAS

87075-24-9

Created by admin on Sat Dec 16 16:26:49 GMT 2023 , Edited by admin on Sat Dec 16 16:26:49 GMT 2023

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FDA UNII

8T9Z8LWD8J

Created by admin on Sat Dec 16 16:26:49 GMT 2023 , Edited by admin on Sat Dec 16 16:26:49 GMT 2023

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