DALCETRAPIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H35NO2S
Molecular Weight	389.595
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DALCETRAPIB

Structure Search

SMILES

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C

InChI

InChIKey=YZQLWPMZQVHJED-UHFFFAOYSA-N

InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)

HIDE SMILES / InChI

Molecular Formula	C23H35NO2S
Molecular Weight	389.595
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:00:40 UTC 2023` Edited by `admin` on `Sat Dec 16 17:00:40 UTC 2023`
Record UNII	3D050LIQ3H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DALCETRAPIB

Official Name

English

Dalcetrapib [WHO-DD]

Common Name

English

PROPANETHIOIC ACID, 2-METHYL-, S-(2-(((1-(2-ETHYLBUTYL)CYCLOHEXYL)CARBONYL)AMINO)PHENYL) ESTER

Common Name

English

RO4607381

Code

English

dalcetrapib [INN]

Common Name

English

RO-4607381

Code

English

JTT-705

Code

English

S-[2-({[1-(2-Ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate

Systematic Name

English

DALCETRAPIB [MI]

Common Name

English

S-(2-(1-(2-ETHYLBUTYL)CYCLOHEXANECARBOXAMIDO)PHENYL) 2-METHYLPROPANETHIOATE

Systematic Name

English

DALCETRAPIB [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29703

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL313006

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

EPA CompTox

DTXSID70943475

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

MERCK INDEX

m4071

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

Merck Index

DRUG BANK

DB12181

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

NCI_THESAURUS

C81529

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

INN

8782

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

WIKIPEDIA

DALCETRAPIB

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

USAN

TT-92

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

CAS

211513-37-0

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

MESH

C411602

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

SMS_ID

100000124381

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

PUBCHEM

6918540

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

EVMPD

SUB32549

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

FDA UNII

3D050LIQ3H

Created by admin on Sat Dec 16 17:00:40 UTC 2023 , Edited by admin on Sat Dec 16 17:00:40 UTC 2023

PRIMARY

Related Record Type Details


					PEW5P6H57S

1-(2-Ethylbutyl)-N-(2-mercaptophenyl)cyclohexanecarboxamide

METABOLITE ACTIVE -> PRODRUG

Amount:

Related Record Type Details


					PEW5P6H57S

1-(2-Ethylbutyl)-N-(2-mercaptophenyl)cyclohexanecarboxamide

ACTIVE MOIETY

Amount: