IBODUTANT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H48N4O4S
Molecular Weight	644.866
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C2C=C(SC2=C1)C(=O)NC3(CCCC3)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NCC5CCN(CC6CCOCC6)CC5

InChI

InChIKey=YQYSVMKCMIUCHY-WJOKGBTCSA-N

InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H48N4O4S
Molecular Weight	644.866
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:30:04 UTC 2023` Edited by `admin` on `Fri Dec 15 18:30:04 UTC 2023`
Record UNII	1H7RSQ28BJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IBODUTANT

Official Name

English

Ibodutant [WHO-DD]

Common Name

English

6-METHYL-N-(1-(((2R)-1-((1-(OXAN-4-YLMETHYL)PIPERIDIN-4- YL)METHYLAMINO)-1-OXO-3-PHENYLPROPAN-2-YL)CARBAMOYL)CYCLOPENTYL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE

Systematic Name

English

ibodutant [INN]

Common Name

English

Code System Code Type Description

CAS

522664-63-7