Sacibertinib

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 Search

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 `Sat Dec 16 19:31:50 GMT 2023` Edited by `admin` on `Sat Dec 16 19:31:50 GMT 2023`
Record UNII	K9S2RGS5TK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sacibertinib

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