CJ-12458

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H36N2O
Molecular Weight	452.6303
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1CN[C@H]2C3CCN(CC3)[C@H]2C(C4=CC=CC=C4)C5=CC=CC=C5)C(C)=C

InChI

InChIKey=CVTMENNEXOZZEZ-CONSDPRKSA-N

InChI=1S/C31H36N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,25,29-32H,1,16-19,21H2,2-3H3/t30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H36N2O
Molecular Weight	452.6303
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:14:07 GMT 2023` Edited by `admin` on `Sat Dec 16 16:14:07 GMT 2023`
Record UNII	95L22I06RI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CJ-12458

Code

English

CJ-12,458

Code

English

(2S,3S)-2-(DIPHENYLMETHYL)-N-((2-METHOXY-5-(1-METHYLETHENYL)PHENYL)METHYL)-1-AZABICYCLO(2.2.2)OCTAN-3-AMINE

Systematic Name

English

1-AZABICYCLO(2.2.2)OCTAN-3-AMINE, 2-(DIPHENYLMETHYL)-N-((2-METHOXY-5-(1-METHYLETHENYL)PHENYL)METHYL)-, (2S-CIS)-

Systematic Name

English

1-AZABICYCLO(2.2.2)OCTAN-3-AMINE, 2-(DIPHENYLMETHYL)-N-((2-METHOXY-5-(1-METHYLETHENYL)PHENYL)METHYL)-, (2S,3S)-

Systematic Name

English

EZLOPITANT METABOLITE M17

Common Name

English

Code System Code Type Description

CAS

156749-85-8

Created by admin on Sat Dec 16 16:14:08 GMT 2023 , Edited by admin on Sat Dec 16 16:14:08 GMT 2023

PRIMARY

PUBCHEM

10343867

Created by admin on Sat Dec 16 16:14:08 GMT 2023 , Edited by admin on Sat Dec 16 16:14:08 GMT 2023

PRIMARY

FDA UNII

95L22I06RI

Created by admin on Sat Dec 16 16:14:08 GMT 2023 , Edited by admin on Sat Dec 16 16:14:08 GMT 2023

PRIMARY

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Qualification:

PLASMA