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AG00BF5J

Name: ANA12
Brand: Angene Chemical
SKU: AG00BF5J

219766-25-3 | ANA12

Chemical structure of ANA12, CAS 219766-25-3

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CAS Number	219766-25-3
Catalog Number	AG00BF5J(AGN-PC-0WNKO7)
Chemical Name	ANA12
IUPAC Name	N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
InChI	InChI=1S/C22H21N3O3S/c26-20(25-17-10-5-6-12-23-21(17)27)15-8-2-3-9-16(15)24-22(28)19-13-14-7-1-4-11-18(14)29-19/h1-4,7-9,11,13,17H,5-6,10,12H2,(H,23,27)(H,24,28)(H,25,26)
InChI Key	TUSCYCAIGRVBMD-UHFFFAOYSA-N
MDL Number	MFCD00117444
Molecular Formula	C22H21N3O3S
Molecular Weight	407.4854
SMILES	O=C(C1=CC2=CC=CC=C2S1)NC3=CC=CC=C3C(NC4C(NCCCC4)=O)=O
Synonyms	A 215, A-215, alkylate 215, alkylate-215, ANA-12, 219766-25-3, ANA 12, ANA12, N-[2-[[(Hexahydro-2-oxo-1H-azepin-3-yl)amino]carbonyl]phenyl]-benzo[b]thiophene-2-carboxamide, AK174158, TrkB antagonist, N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide, N-{2-[(2-oxoazepan-3-yl)carbamoyl]phenyl}-1-benzothiophene-2-carboxamide, AC1ME2YP, Maybridge1_001394, Oprea1_341312, SCHEMBL17493304, HMS545H08, AOB4364, EX-A815, CHEBI:140465, BCP16021, 3443AH, MFCD00117444, s7745, AKOS024458344, N-(2-((2-oxoazepan-3-yl)carbamoyl)phenyl)benzo[b]thiophene-2-carboxamide, CCG-222404, CS-3616, MCULE-5560854306, KS-0000185U, NCGC00379202-06, ANA-12, >=98% (HPLC), AS-16798, BC600701, DA-43208, HY-12497, A-215, FT-0700267, J-690263, N-(2-(2-oxoazepan-3-ylcarbamoyl)phenyl)benzo[b]thiophene-2-carboxamide, N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide., N-[2-[[(Hexahydro-2-oxo-1H-azepin-3-yl)amino]carbonyl]phenyl]benzo[b]thiophene-2-carboxamide, Tiplasinin, C22H21N3O3S, TUSCYCAIGRVBMD-UHFFFAOYSA-N, ZINC01044528, CID2799722,

Complexity	628
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	407.13g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	407.488g/mol
Monoisotopic Mass	407.13g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

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Angene International Limited