CENICRIVIROC MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H52N4O4S.CH4O3S
Molecular Weight	793.047
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CC(C)C)CCCC(=C3)C(=O)NC4=CC=C(C=C4)[S@@+]([O-])CC5=CN=CN5CCC

InChI

InChIKey=IXPBPUPDRDCRSY-YLZLUMLXSA-N

InChI=1S/C41H52N4O4S.CH4O3S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2;1-5(2,3)4/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46);1H3,(H,2,3,4)/b34-26+;/t50-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C41H52N4O4S
Molecular Weight	696.941
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 `Fri Dec 15 18:18:28 UTC 2023` Edited by `admin` on `Fri Dec 15 18:18:28 UTC 2023`
Record UNII	R96TV84T21
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CENICRIVIROC MESYLATE

Official Name

English

1-BENZAZOCINE-5-CARBOXAMIDE, 8-(4-(2-BUTOXYETHOXY)PHENYL)-1,2,3,4-TETRAHYDRO-1-(2- METHYLPROPYL)-N-(4-((S)-((1-PROPYL-1H-IMIDAZOL-5-YL)METHYL)SULFINYL)PHENYL)-, METHANESULFONATE (1:1)

Common Name

English

(S)-8-(4-(2-BUTOXYETHOXY)PHENYL)-1-(2-METHYLPROPYL)-N-(4-(((1-PROPYL-1H-IMIDAZOL- 5- YL)METHYL)SULFINYL)PHENYL)-1,2,3,4-TETRAHYDRO-1-BENZAZOCINE-5-CARBOXAMIDE MONOMETHANESULFONATE

Common Name

English

TBR-652

Code

English

CENICRIVIROC MESILATE

Common Name

English

CENICRIVIROC MESYLATE [USAN]

Common Name

English

Cenicriviroc mesilate [WHO-DD]

Common Name

English

TAK-652

Code

English

Code System Code Type Description

EVMPD

SUB180705