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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H31ClN6O4
Molecular Weight 599.079
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Sacibertinib

SMILES

CN(C)C\C=C\C(=O)NC1=CC2=C(C=C1O[C@H]3CCOC3)N=CC(C#N)=C2NC4=CC(Cl)=C(OCC5=CC=CC=N5)C=C4

InChI

InChIKey=ZGYIXVSQHOKQRZ-COIATFDQSA-N
InChI=1S/C32H31ClN6O4/c1-39(2)12-5-7-31(40)38-28-15-25-27(16-30(28)43-24-10-13-41-20-24)36-18-21(17-34)32(25)37-22-8-9-29(26(33)14-22)42-19-23-6-3-4-11-35-23/h3-9,11,14-16,18,24H,10,12-13,19-20H2,1-2H3,(H,36,37)(H,38,40)/b7-5+/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H31ClN6O4
Molecular Weight 599.079
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:48:15 UTC 2023
Edited
by admin
on Fri Jul 07 00:48:15 UTC 2023
Record UNII
K9S2RGS5TK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sacibertinib
INN  
Official Name English
(2E)-N-[(1³S)-5³-chloro-3³-cyano-2,6-dioxa-4-aza-3(7,4)-quinolina-8(2)-pyridina-1(3)-oxolana-5(1,4)-benzenaoctaphan-3⁶-yl]-4-(dimethylamino)but-2-enamide
Systematic Name English
(2E)-N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinolinyl]-4-(dimethylamino)-2-butenamide
Systematic Name English
sacibertinib [INN]
Common Name English
2-Butenamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinolinyl]-4-(dimethylamino)-, (2E)-
Systematic Name English
Code System Code Type Description
INN
12300
Created by admin on Fri Jul 07 00:48:16 UTC 2023 , Edited by admin on Fri Jul 07 00:48:16 UTC 2023
PRIMARY
CAS
1351941-69-9
Created by admin on Fri Jul 07 00:48:16 UTC 2023 , Edited by admin on Fri Jul 07 00:48:16 UTC 2023
PRIMARY
PUBCHEM
89496273
Created by admin on Fri Jul 07 00:48:16 UTC 2023 , Edited by admin on Fri Jul 07 00:48:16 UTC 2023
PRIMARY
SMS_ID
300000047401
Created by admin on Fri Jul 07 00:48:16 UTC 2023 , Edited by admin on Fri Jul 07 00:48:16 UTC 2023
PRIMARY
FDA UNII
K9S2RGS5TK
Created by admin on Fri Jul 07 00:48:16 UTC 2023 , Edited by admin on Fri Jul 07 00:48:16 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY