2-(3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-HYDROXYPHENYL)-1,2-PROPANEDIOL

Details

Stereochemistry	EPIMERIC
Molecular Formula	C30H36N2O3
Molecular Weight	472.6184
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-HYDROXYPHENYL)-1,2-PROPANEDIOL

Structure Search

SMILES

CC(O)(CO)C1=CC=C(O)C(CN[C@H]2C3CCN(CC3)[C@H]2C(C4=CC=CC=C4)C5=CC=CC=C5)=C1

InChI

InChIKey=GELWZWMUAOTFFA-ZTURCVLQSA-N

InChI=1S/C30H36N2O3/c1-30(35,20-33)25-12-13-26(34)24(18-25)19-31-28-23-14-16-32(17-15-23)29(28)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23,27-29,31,33-35H,14-17,19-20H2,1H3/t28-,29-,30?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H36N2O3
Molecular Weight	472.6184
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:55:35 UTC 2023` Edited by `admin` on `Sat Dec 16 15:55:35 UTC 2023`
Record UNII	MZ7I17L98K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-HYDROXYPHENYL)-1,2-PROPANEDIOL

Systematic Name

English

1,2-PROPANEDIOL, 2-(3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-HYDROXYPHENYL)-

Systematic Name

English

EZLOPITANT METABOLITE M7A

Common Name

English

Code System Code Type Description

PUBCHEM

154572887

Created by admin on Sat Dec 16 15:55:35 UTC 2023 , Edited by admin on Sat Dec 16 15:55:35 UTC 2023

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CAS

1817856-19-1

Created by admin on Sat Dec 16 15:55:35 UTC 2023 , Edited by admin on Sat Dec 16 15:55:35 UTC 2023

PRIMARY

FDA UNII

MZ7I17L98K

Created by admin on Sat Dec 16 15:55:35 UTC 2023 , Edited by admin on Sat Dec 16 15:55:35 UTC 2023

PRIMARY

Related Record Type Details


					3L098A8MPY

EZLOPITANT

PARENT -> METABOLITE

Qualification:

FECAL; URINE