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Details

Stereochemistry EPIMERIC
Molecular Formula C31H36N2O3
Molecular Weight 484.6303
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-METHOXY-.ALPHA.-METHYLBENZENEACETIC ACID

SMILES

CC([H])(c1ccc(c(c1)CN[C@@]2([H])C3CCN(CC3)[C@@]2([H])C(c4ccccc4)c5ccccc5)OC)C(=O)O

InChI

InChIKey=GAUSSIFKOWHLQB-YCIRJXQPSA-N
InChI=1S/C31H36N2O3/c1-21(31(34)35)25-13-14-27(36-2)26(19-25)20-32-29-24-15-17-33(18-16-24)30(29)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,21,24,28-30,32H,15-18,20H2,1-2H3,(H,34,35)/t21?,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H36N2O3
Molecular Weight 484.6303
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 Jun 26 12:59:30 UTC 2021
Edited
by admin
on Sat Jun 26 12:59:30 UTC 2021
Record UNII
UY0M7J3M6Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-METHOXY-.ALPHA.-METHYLBENZENEACETIC ACID
Systematic Name English
EZLOPITANT METABOLITE M14
Common Name English
BENZENEACETIC ACID, 3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-METHOXY-.ALPHA.-METHYL-
Systematic Name English
Code System Code Type Description
CAS
1817856-18-0
Created by admin on Sat Jun 26 12:59:30 UTC 2021 , Edited by admin on Sat Jun 26 12:59:30 UTC 2021
PRIMARY
FDA UNII
UY0M7J3M6Z
Created by admin on Sat Jun 26 12:59:30 UTC 2021 , Edited by admin on Sat Jun 26 12:59:30 UTC 2021
PRIMARY
PUBCHEM
154572828
Created by admin on Sat Jun 26 12:59:30 UTC 2021 , Edited by admin on Sat Jun 26 12:59:30 UTC 2021
PRIMARY
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