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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H34N2O2
Molecular Weight 358.5176
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IPENOXAZONE

SMILES

CC(C)C[C@H]1[C@H](OC(=O)N1CCCN2CCCCCC2)C3=CC=CC=C3

InChI

InChIKey=DQNMZSIJHFEYTM-LEWJYISDSA-N
InChI=1S/C22H34N2O2/c1-18(2)17-20-21(19-11-6-5-7-12-19)26-22(25)24(20)16-10-15-23-13-8-3-4-9-14-23/h5-7,11-12,18,20-21H,3-4,8-10,13-17H2,1-2H3/t20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H34N2O2
Molecular Weight 358.5176
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 16:35:25 UTC 2023
Edited
by admin
on Fri Dec 15 16:35:25 UTC 2023
Record UNII
839F26EVAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IPENOXAZONE
INN  
INN  
Official Name English
MLV6976
Code English
NC1200
Code English
NC-1200
Code English
MLV-6976
Code English
ipenoxazone [INN]
Common Name English
(+)-(4S,5R)-3-(3-(HEXAHYDRO-1H-AZEPIN-1-YL)PROPYL)-4-ISOBUTYL-5-PHENYL-2-OXAZOLIDINONE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1509
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
Code System Code Type Description
CAS
104454-71-9
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
PRIMARY
NCI_THESAURUS
C76780
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
PRIMARY
SMS_ID
100000083139
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
PRIMARY
INN
7214
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID601318288
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
PRIMARY
FDA UNII
839F26EVAQ
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
PRIMARY
PUBCHEM
65882
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104917
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
PRIMARY
EVMPD
SUB08271MIG
Created by admin on Fri Dec 15 16:35:25 UTC 2023 , Edited by admin on Fri Dec 15 16:35:25 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY