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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H40N2O
Molecular Weight 468.6728
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAROPITANT

SMILES

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

InChI

InChIKey=OMPCVMLFFSQFIX-CONSDPRKSA-N
InChI=1S/C32H40N2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3/t30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H40N2O
Molecular Weight 468.6728
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 Fri Dec 15 16:25:30 UTC 2023
Edited
by admin
on Fri Dec 15 16:25:30 UTC 2023
Record UNII
4XE2T9H4DH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MAROPITANT
GREEN BOOK   INN   MI  
INN  
Official Name English
1-AZABICYCLO(2.2.2)OCTAN-3-AMINE, N-((5-(1,1-DIMETHYLETHYL)-2-METHOXYPHENYL)METHYL)-2-(DIPHENYLMETHYL)-, (2S,3S)-
Systematic Name English
(2S,3S)-N-(5-(1,1-DIMETHYLETHYL)-2-METHOXYBENZYL)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCTAN-3-AMINE
Systematic Name English
MAROPITANT [GREEN BOOK]
Common Name English
maropitant [INN]
Common Name English
MAROPITANT [MI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 520.1315
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
WHO-VATC QA04AD90
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
CFR 21 CFR 522.1315
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
NCI_THESAURUS C267
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
Code System Code Type Description
DAILYMED
4XE2T9H4DH
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
NCI_THESAURUS
C81500
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111099
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
MESH
C518176
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
RXCUI
715869
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY RxNorm
CAS
147116-67-4
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
SMS_ID
300000023688
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID1057874
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
PUBCHEM
204108
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
WIKIPEDIA
MAROPITANT
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
MERCK INDEX
m7089
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY Merck Index
FDA UNII
4XE2T9H4DH
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
INN
8421
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
DRUG BANK
DB11427
Created by admin on Fri Dec 15 16:25:31 UTC 2023 , Edited by admin on Fri Dec 15 16:25:31 UTC 2023
PRIMARY
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ACTIVE MOIETY