U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H45Cl2N2O2
Molecular Weight 620.671
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of NOLPITANTIUM

SMILES

CC(C)OC1=CC(CC(=O)N2CCC[C@@](CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)(C2)C6=CC=C(Cl)C(Cl)=C6)=CC=C1

InChI

InChIKey=RPDFDSQFBCJTDY-GAQXSTBRSA-N
InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H45Cl2N2O2
Molecular Weight 620.671
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 03:03:59 UTC 2023
Edited
by admin
on Sat Dec 16 03:03:59 UTC 2023
Record UNII
NR72W2V70N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NOLPITANTIUM
Common Name English
NOLPITANTIUM ION
Common Name English
SR-140333
Code English
NOLPITANTIUM CATION
Common Name English
1-AZONIABICYCLO(2.2.2)OCTANE, 1-(2-((3S)-3-(3,4-DICHLOROPHENYL)-1-(2-(3-(1-METHYLETHOXY)PHENYL)ACETYL)-3-PIPERIDINYL)ETHYL)-4-PHENYL-
Systematic Name English
Code System Code Type Description
FDA UNII
NR72W2V70N
Created by admin on Sat Dec 16 03:04:00 UTC 2023 , Edited by admin on Sat Dec 16 03:04:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID10165896
Created by admin on Sat Dec 16 03:04:00 UTC 2023 , Edited by admin on Sat Dec 16 03:04:00 UTC 2023
PRIMARY
PUBCHEM
108167
Created by admin on Sat Dec 16 03:04:00 UTC 2023 , Edited by admin on Sat Dec 16 03:04:00 UTC 2023
PRIMARY
CAS
155418-05-6
Created by admin on Sat Dec 16 03:04:00 UTC 2023 , Edited by admin on Sat Dec 16 03:04:00 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY