NB-003

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H26FN7O3.C7H8O3S
Molecular Weight	651.708
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.COCCOC2=CC3=NC=NC(NC4=CC=C(NC(=O)CN5C=C(N=N5)C(C)C)C=C4)=C3C(F)=C2

InChI

InChIKey=AWHHAHZPRULJMA-UHFFFAOYSA-N

InChI=1S/C24H26FN7O3.C7H8O3S/c1-15(2)21-12-32(31-30-21)13-22(33)28-16-4-6-17(7-5-16)29-24-23-19(25)10-18(35-9-8-34-3)11-20(23)26-14-27-24;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29);2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C24H26FN7O3
Molecular Weight	479.5067
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H8O3S
Molecular Weight	172.202
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 `Wed Apr 02 09:15:47 GMT 2025` Edited by `admin` on `Wed Apr 02 09:15:47 GMT 2025`
Record UNII	R3X99P2H4L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AZD-3229 TOSYLATE

Preferred Name

English

NB-003

Code

English

N-(4-((5-FLUORO-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YL)AMINO)PHENYL)-2-(4-(PROPAN-2-YL)-1H-(1,2,3)TRIAZOL-1-YL)ACETAMIDE TOSYLATE

Systematic Name

English

AZD3229 TOSYLATE

Code

English

Code System Code Type Description

PUBCHEM

135367697