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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30FNO6
Molecular Weight 447.4965
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEMDOMESPIB

SMILES

CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC2=CC(=C(CCNC(C)=O)C=C2)C3=CC=CC(F)=C3)OC1(C)C

InChI

InChIKey=PDBWOHBMJQOBHL-WBADGQHESA-N
InChI=1S/C24H30FNO6/c1-14(27)26-11-10-15-8-9-18(13-19(15)16-6-5-7-17(25)12-16)31-23-21(29)20(28)22(30-4)24(2,3)32-23/h5-9,12-13,20-23,28-29H,10-11H2,1-4H3,(H,26,27)/t20-,21+,22+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H30FNO6
Molecular Weight 447.4965
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sun Dec 18 04:51:50 UTC 2022
Edited
by admin
on Sun Dec 18 04:51:50 UTC 2022
Record UNII
T78QNE8JSI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEMDOMESPIB
INN  
Official Name English
KU-596
Common Name English
ACETAMIDE, N-(2-(5-((6-DEOXY-5-C-METHYL-4-O-METHYL-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-3'-FLUORO(1,1'-BIPHENYL)-2-YL)ETHYL)-
Common Name English
cemdomespib [INN]
Common Name English
Code System Code Type Description
CAS
1450642-92-8
Created by admin on Sun Dec 18 04:51:50 UTC 2022 , Edited by admin on Sun Dec 18 04:51:50 UTC 2022
PRIMARY
INN
12042
Created by admin on Sun Dec 18 04:51:50 UTC 2022 , Edited by admin on Sun Dec 18 04:51:50 UTC 2022
PRIMARY
FDA UNII
T78QNE8JSI
Created by admin on Sun Dec 18 04:51:50 UTC 2022 , Edited by admin on Sun Dec 18 04:51:50 UTC 2022
PRIMARY
PUBCHEM
60148493
Created by admin on Sun Dec 18 04:51:50 UTC 2022 , Edited by admin on Sun Dec 18 04:51:50 UTC 2022
PRIMARY
NCI_THESAURUS
C188626
Created by admin on Sun Dec 18 04:51:50 UTC 2022 , Edited by admin on Sun Dec 18 04:51:50 UTC 2022
PRIMARY
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TARGET -> INHIBITOR
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