NCX-976

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H33FN4O9
Molecular Weight	624.6135
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(\C=C\C(=O)OCCCCO[N+]([O-])=O)=CC=C1OC(=O)C2=CN(C3CC3)C4=C(C=C(F)C(=C4)N5CCNCC5)C2=O

InChI

InChIKey=MTMKUFHRVAGKHI-WEVVVXLNSA-N

InChI=1S/C31H33FN4O9/c1-42-28-16-20(5-9-29(37)43-14-2-3-15-44-36(40)41)4-8-27(28)45-31(39)23-19-35(21-6-7-21)25-18-26(34-12-10-33-11-13-34)24(32)17-22(25)30(23)38/h4-5,8-9,16-19,21,33H,2-3,6-7,10-15H2,1H3/b9-5+

HIDE SMILES / InChI

Molecular Formula	C31H33FN4O9
Molecular Weight	624.6135
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:11:37 GMT 2023` Edited by `admin` on `Sat Dec 16 18:11:37 GMT 2023`
Record UNII	WU73F8VFA7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NCX-976

Code

English

NCX976

Code

English

3-QUINOLINECARBOXYLIC ACID, 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(1-PIPERAZINYL)-, 2-METHOXY-4-(3-(4-(NITROOXY)BUTOXY)-3-OXO-1-PROPEN-1-YL)PHENYL ESTER

Systematic Name

English

2-METHOXY-4-(3-(4-(NITROOXY)BUTOXY)-3-OXO-1-PROPEN-1-YL)PHENYL 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(1-PIPERAZINYL)-3-QUINOLINECARBOXYLATE

Systematic Name

English

3-QUINOLINECARBOXYLIC ACID, 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(1-PIPERAZINYL)-, 2-METHOXY-4-(3-(4-(NITROOXY)BUTOXY)-3-OXO-1-PROPENYL)PHENYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

WU73F8VFA7

Created by admin on Sat Dec 16 18:11:37 GMT 2023 , Edited by admin on Sat Dec 16 18:11:37 GMT 2023

PRIMARY

PUBCHEM

6479369

Created by admin on Sat Dec 16 18:11:37 GMT 2023 , Edited by admin on Sat Dec 16 18:11:37 GMT 2023

PRIMARY

CAS

352464-60-9

Created by admin on Sat Dec 16 18:11:37 GMT 2023 , Edited by admin on Sat Dec 16 18:11:37 GMT 2023

PRIMARY

Related Record Type Details


					WU73F8VFA7

NCX-976

ACTIVE MOIETY