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Details

Stereochemistry EPIMERIC
Molecular Formula C31H38N2O3
Molecular Weight 486.6462
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-611781

SMILES

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

InChI

InChIKey=MVXRTLWIKNHZBT-XPZBDPFPSA-N
InChI=1S/C31H38N2O3/c1-31(35,21-34)26-13-14-27(36-2)25(19-26)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/h3-14,19,24,28-30,32,34-35H,15-18,20-21H2,1-2H3/t29-,30-,31?/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H38N2O3
Molecular Weight 486.6462
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 07:47:44 UTC 2021
Edited
by admin
on Sat Jun 26 07:47:44 UTC 2021
Record UNII
8T46FGW4MS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-611781
Code English
2-(3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-METHOXYPHENYL)-1,2-PROPANEDIOL
Systematic Name English
EZLOPITANT METABOLITE M12
Common Name English
1,2-PROPANEDIOL, 2-(3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-METHOXYPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
8T46FGW4MS
Created by admin on Sat Jun 26 07:47:44 UTC 2021 , Edited by admin on Sat Jun 26 07:47:44 UTC 2021
PRIMARY
CAS
368454-88-0
Created by admin on Sat Jun 26 07:47:44 UTC 2021 , Edited by admin on Sat Jun 26 07:47:44 UTC 2021
PRIMARY
PUBCHEM
10323145
Created by admin on Sat Jun 26 07:47:44 UTC 2021 , Edited by admin on Sat Jun 26 07:47:44 UTC 2021
PRIMARY
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