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Details

Stereochemistry ACHIRAL
Molecular Formula C31H33N3O4
Molecular Weight 511.6114
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UPIDOSIN

SMILES

COC1=C(C=CC=C1)N2CCN(CCCNC(=O)C3=CC=CC4=C3OC(=C(C)C4=O)C5=CC=CC=C5)CC2

InChI

InChIKey=DUCNHKDCVVSJLG-UHFFFAOYSA-N
InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)

HIDE SMILES / InChI

Molecular Formula C31H33N3O4
Molecular Weight 511.6114
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:57:36 UTC 2023
Edited
by admin
on Fri Dec 15 15:57:36 UTC 2023
Record UNII
TXG28R7G4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UPIDOSIN
INN  
INN  
Official Name English
SB-216469
Common Name English
upidosin [INN]
Common Name English
SB 216469 BASE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29713
Created by admin on Fri Dec 15 15:57:36 UTC 2023 , Edited by admin on Fri Dec 15 15:57:36 UTC 2023
Code System Code Type Description
FDA UNII
TXG28R7G4Y
Created by admin on Fri Dec 15 15:57:36 UTC 2023 , Edited by admin on Fri Dec 15 15:57:36 UTC 2023
PRIMARY
SMS_ID
300000042601
Created by admin on Fri Dec 15 15:57:36 UTC 2023 , Edited by admin on Fri Dec 15 15:57:36 UTC 2023
PRIMARY
NCI_THESAURUS
C75061
Created by admin on Fri Dec 15 15:57:36 UTC 2023 , Edited by admin on Fri Dec 15 15:57:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID70165115
Created by admin on Fri Dec 15 15:57:36 UTC 2023 , Edited by admin on Fri Dec 15 15:57:36 UTC 2023
PRIMARY
ChEMBL
CHEMBL278865
Created by admin on Fri Dec 15 15:57:36 UTC 2023 , Edited by admin on Fri Dec 15 15:57:36 UTC 2023
PRIMARY
CAS
152735-23-4
Created by admin on Fri Dec 15 15:57:36 UTC 2023 , Edited by admin on Fri Dec 15 15:57:36 UTC 2023
PRIMARY
INN
7731
Created by admin on Fri Dec 15 15:57:36 UTC 2023 , Edited by admin on Fri Dec 15 15:57:36 UTC 2023
PRIMARY
PUBCHEM
148842
Created by admin on Fri Dec 15 15:57:36 UTC 2023 , Edited by admin on Fri Dec 15 15:57:36 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY