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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19F2N5O3S
Molecular Weight 423.437
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vulolisib

SMILES

C[C@H](NC1=CC=C2C3=NC(=CN3CCOC2=C1)N4[C@@H](CSC4=O)C(F)F)C(N)=O

InChI

InChIKey=KEEKMOIRJUWKNK-CABZTGNLSA-N
InChI=1S/C18H19F2N5O3S/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19F2N5O3S
Molecular Weight 423.437
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 Sat Dec 16 19:18:41 UTC 2023
Edited
by admin
on Sat Dec 16 19:18:41 UTC 2023
Record UNII
FTP96R76VB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vulolisib
INN  
Official Name English
(2S)-2-({2-[(4R)-4-(difluoromethyl)-2-oxo-1,3- thiazolidin-2-yl]-5,6-dihydroimidazo[1,2- d][1,4]benzoxazepin-9-yl}amino)propanamide
Systematic Name English
Propanamide, 2-[[2-[(4R)-4-(difluoromethyl)-2-oxo-3-thiazolidinyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]-, (2S)-
Systematic Name English
vulolisib [INN]
Common Name English
Code System Code Type Description
INN
12367
Created by admin on Sat Dec 16 19:18:41 UTC 2023 , Edited by admin on Sat Dec 16 19:18:41 UTC 2023
PRIMARY
FDA UNII
FTP96R76VB
Created by admin on Sat Dec 16 19:18:41 UTC 2023 , Edited by admin on Sat Dec 16 19:18:41 UTC 2023
PRIMARY
PUBCHEM
146267141
Created by admin on Sat Dec 16 19:18:41 UTC 2023 , Edited by admin on Sat Dec 16 19:18:41 UTC 2023
PRIMARY
CAS
2390105-79-8
Created by admin on Sat Dec 16 19:18:41 UTC 2023 , Edited by admin on Sat Dec 16 19:18:41 UTC 2023
PRIMARY
SMS_ID
300000047417
Created by admin on Sat Dec 16 19:18:41 UTC 2023 , Edited by admin on Sat Dec 16 19:18:41 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY