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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30N2O2
Molecular Weight 414.5393
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASIMADOLINE

SMILES

CN([C@H](CN1CC[C@H](O)C1)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=JHLHNYVMZCADTC-LOSJGSFVSA-N
InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30N2O2
Molecular Weight 414.5393
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 15:40:12 UTC 2023
Edited
by admin
on Fri Dec 15 15:40:12 UTC 2023
Record UNII
D0VK52NV5M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASIMADOLINE
INN   MI  
INN  
Official Name English
asimadoline [INN]
Common Name English
ASIMADOLINE [MI]
Common Name English
N-((.ALPHA.S)-.ALPHA.-(((3S)-3-HYDROXY-1-PYRROLIDINYL)METHYL)BENZYL)-N-METHYL-2,2-DIPHENYLACETAMIDE
Common Name English
EMD-61753
Code English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL1190199
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
WIKIPEDIA
ASIMADOLINE
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
INN
7459
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
EVMPD
SUB05581MIG
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID60165285
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
MERCK INDEX
m2093
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY Merck Index
FDA UNII
D0VK52NV5M
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
NCI_THESAURUS
C72137
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
SMS_ID
100000086607
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
DRUG BANK
DB05104
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
MESH
C092095
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
PUBCHEM
179340
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
CAS
153205-46-0
Created by admin on Fri Dec 15 15:40:13 UTC 2023 , Edited by admin on Fri Dec 15 15:40:13 UTC 2023
PRIMARY
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