DAPITANT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H39NO4
Molecular Weight	561.7099
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CN(C[C@]1([H])C(CC[C@@]2(O)C3=C(OC)C=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[C@@H](C)C6=C(OC)C=CC=C6

InChI

InChIKey=CCIWVEMVBWEMCY-RCFOMQFPSA-N

InChI=1S/C37H39NO4/c1-26(29-18-10-12-20-33(29)41-2)35(39)38-24-31-32(25-38)37(40,30-19-11-13-21-34(30)42-3)23-22-36(31,27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-21,26,31-32,40H,22-25H2,1-3H3/t26-,31-,32+,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H39NO4
Molecular Weight	561.7099
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:56:26 UTC 2023` Edited by `admin` on `Fri Dec 15 16:56:26 UTC 2023`
Record UNII	NRD5XF638P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DAPITANT

Official Name

English

dapitant [INN]

Common Name

English

RPR-100893

Code

English

RPR100893

Code

English

(3AS,4S,7AS)-HEXAHYDRO-2-((.ALPHA.S)-O-METHOXYHYDRATROPOYL)-4-(O-METHOXYPHENYL)-7,7-DIPHENYL-4-ISOINDOLINOL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C267