NNC-55-0396

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H38FN3O2.2ClH
Molecular Weight	564.562
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)C=C(F)C=C2

InChI

InChIKey=BCCQNBXHUMKLFW-HNQRYHMESA-N

InChI=1S/C30H38FN3O2.2ClH/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H/t28-,30-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NNC-55-0396

Common Name

English

CYCLOPROPANECARBOXYLIC ACID, (1S,2S)-2-(2-((3-(1H-BENZIMIDAZOL-2-YL)PROPYL)METHYLAMINO)ETHYL)-6-FLUORO-1,2,3,4-TETRAHYDRO-1-(1-METHYLETHYL)-2-NAPHTHALENYL ESTER, HYDROCHLORIDE (1:2)

Systematic Name

English

CYCLOPROPANECARBOXYLIC ACID, (1S,2S)-2-(2-((3-(1H-BENZIMIDAZOL-2-YL)PROPYL)METHYLAMINO)ETHYL)-6-FLUORO-1,2,3,4-TETRAHYDRO-1-(1-METHYLETHYL)-2-NAPHTHALENYL ESTER, DIHYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

22084904

Created by admin on Sat Dec 16 09:44:34 UTC 2023 , Edited by admin on Sat Dec 16 09:44:34 UTC 2023

PRIMARY

EPA CompTox

DTXSID301017615

Created by admin on Sat Dec 16 09:44:34 UTC 2023 , Edited by admin on Sat Dec 16 09:44:34 UTC 2023

PRIMARY

CAS

357400-13-6

Created by admin on Sat Dec 16 09:44:34 UTC 2023 , Edited by admin on Sat Dec 16 09:44:34 UTC 2023

PRIMARY

FDA UNII

0A7CE46ERM

Created by admin on Sat Dec 16 09:44:34 UTC 2023 , Edited by admin on Sat Dec 16 09:44:34 UTC 2023

PRIMARY

ACTIVE MOIETY


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NNC-55-0396