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Details

Stereochemistry ACHIRAL
Molecular Formula C22H16FN7O2S
Molecular Weight 461.472
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dalmelitinib

SMILES

CN1C=C(C=N1)C2=CN3C(SC4=CC5=C6OCC(=O)N(C)C6=CN=C5C=C4)=NN=C3C(F)=C2

InChI

InChIKey=MFEXYTURXUZOID-UHFFFAOYSA-N
InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H16FN7O2S
Molecular Weight 461.472
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 Sat Dec 16 19:17:02 GMT 2023
Edited
by admin
on Sat Dec 16 19:17:02 GMT 2023
Record UNII
4SP7R879Y5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dalmelitinib
INN  
Official Name English
dalmelitinib [INN]
Common Name English
9-[[8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]thio]-4-methyl-2H-1,4-oxazino[3,2-c]quinolin-3(4H)-one
Systematic Name English
2H-1,4-Oxazino[3,2-c]quinolin-3(4H)-one, 9-[[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]thio]-4-methyl-
Systematic Name English
9-{[8-fluoro-6-(1-methyl-1H-pyrazol-4- yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-4-methyl- 2H-[1,4]oxazino[3,2-c]quinolin-3(4H)-one
Systematic Name English
Code System Code Type Description
CAS
1637658-98-0
Created by admin on Sat Dec 16 19:17:03 GMT 2023 , Edited by admin on Sat Dec 16 19:17:03 GMT 2023
PRIMARY
SMS_ID
300000047396
Created by admin on Sat Dec 16 19:17:03 GMT 2023 , Edited by admin on Sat Dec 16 19:17:03 GMT 2023
PRIMARY
INN
12365
Created by admin on Sat Dec 16 19:17:03 GMT 2023 , Edited by admin on Sat Dec 16 19:17:03 GMT 2023
PRIMARY
FDA UNII
4SP7R879Y5
Created by admin on Sat Dec 16 19:17:03 GMT 2023 , Edited by admin on Sat Dec 16 19:17:03 GMT 2023
PRIMARY
PUBCHEM
86302574
Created by admin on Sat Dec 16 19:17:03 GMT 2023 , Edited by admin on Sat Dec 16 19:17:03 GMT 2023
PRIMARY
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