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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C30H38FN3O2
Molecular Weight	491.64
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Voltage-gated T-type calcium channel alpha-1G subunit 8 Target ID: CHEMBL4641 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14718587	Blocker 537	6.8 µM [IC50]
Voltage-gated T-type calcium channel alpha-1G subunit 8 Target ID: CHEMBL4641 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25255145 \| https://www.ncbi.nlm.nih.gov/pubmed/14718587	Blocker 537	6.8 µM [IC50]
Cation channel sperm-associated protein 1 2 Target ID: CHEMBL1628462 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21412339	Blocker 537	5.7 null [pIC50]
Cation channel sperm-associated protein 2 2 Target ID: Q96P56 Gene ID: 117155.0 Gene Symbol: CATSPER2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/21412339	Blocker 537	5.7 null [pIC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:44:34 GMT 2023` Edited by `admin` on `Sat Dec 16 09:44:34 GMT 2023`
Record UNII	0A7CE46ERM
Record Status	`Validated (UNII)`
Record Version

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

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EPA CompTox

DTXSID301017615

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

PRIMARY

CAS

357400-13-6

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

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FDA UNII

0A7CE46ERM

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

PRIMARY

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