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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H36N2O2
Molecular Weight 456.6202
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
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-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYLBENZENEMETHANOL

SMILES

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

InChI

InChIKey=LIWMBOANPQXENX-VMPREFPWSA-N
InChI=1S/C30H36N2O2/c1-30(2,34)25-13-14-26(33)24(19-25)20-31-28-23-15-17-32(18-16-23)29(28)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,23,27-29,31,33-34H,15-18,20H2,1-2H3/t28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H36N2O2
Molecular Weight 456.6202
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 Jun 26 08:56:54 UTC 2021
Edited
by admin
on Sat Jun 26 08:56:54 UTC 2021
Record UNII
OM3N05L8US
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-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYLBENZENEMETHANOL
Systematic Name English
BENZENEMETHANOL, 3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
EZLOPITANT METABOLITE M7C
Common Name English
Code System Code Type Description
PUBCHEM
154572827
Created by admin on Sat Jun 26 08:56:54 UTC 2021 , Edited by admin on Sat Jun 26 08:56:54 UTC 2021
PRIMARY
FDA UNII
OM3N05L8US
Created by admin on Sat Jun 26 08:56:54 UTC 2021 , Edited by admin on Sat Jun 26 08:56:54 UTC 2021
PRIMARY
CAS
1810050-89-5
Created by admin on Sat Jun 26 08:56:54 UTC 2021 , Edited by admin on Sat Jun 26 08:56:54 UTC 2021
PRIMARY
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