HALOFUGINONE, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H17BrClN3O3
Molecular Weight	414.681
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1CCCN[C@H]1CC(=O)CN2C=NC3=CC(Br)=C(Cl)C=C3C2=O

InChI

InChIKey=LVASCWIMLIKXLA-LSDHHAIUSA-N

InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H17BrClN3O3
Molecular Weight	414.681
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 19:06:55 GMT 2023` Edited by `admin` on `Sat Dec 16 19:06:55 GMT 2023`
Record UNII	NVY6A324PU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HALOFUGINONE, (-)-

Common Name

English

7-BROMO-6-CHLORO-3-(3-((2S,3R)-3-HYDROXY-2-PIPERIDINYL)-2-OXOPROPYL)-4(3H)-QUINAZOLINONE

Systematic Name

English

(-)-HALOFUGINONE

Common Name

English

4(3H)-QUINAZOLINONE, 7-BROMO-6-CHLORO-3-(3-((2S,3R)-3-HYDROXY-2-PIPERIDINYL)-2-OXOPROPYL)-

Systematic Name

English

6-CHLORO-7-BROMOFEBRIFUGINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID301339439

Created by admin on Sat Dec 16 19:06:56 GMT 2023 , Edited by admin on Sat Dec 16 19:06:56 GMT 2023

PRIMARY

CAS

7695-84-3

Created by admin on Sat Dec 16 19:06:56 GMT 2023 , Edited by admin on Sat Dec 16 19:06:56 GMT 2023

PRIMARY

PUBCHEM

400772

Created by admin on Sat Dec 16 19:06:56 GMT 2023 , Edited by admin on Sat Dec 16 19:06:56 GMT 2023

PRIMARY

FDA UNII

NVY6A324PU

Created by admin on Sat Dec 16 19:06:56 GMT 2023 , Edited by admin on Sat Dec 16 19:06:56 GMT 2023

PRIMARY

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