AG00AMH0

Name: RPT-835(alofanib)
Brand: Angene Chemical
SKU: AG00AMH0

1612888-66-0 | RPT-835(alofanib)

AG00AMH0

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CAS Number	1612888-66-0
Catalog Number	AG00AMH0
Chemical Name	RPT-835(alofanib)
IUPAC Name	3-[(4-methyl-2-nitro-5-pyridin-3-ylphenyl)sulfamoyl]benzoic acid
InChI	InChI=1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24)
InChI Key	QUQGQIASFYWKAB-UHFFFAOYSA-N
MDL Number	MFCD30747921
Molecular Formula	C19H15N3O6S
Molecular Weight	413.4039
SMILES	O=C(O)C1=CC=CC(S(=O)(NC2=CC(C3=CC=CN=C3)=C(C)C=C2[N+]([O-])=O)=O)=C1
UNII	LQX7RFK8MZ
Synonyms	alofanib, ES000835, RPT835, Syn007154, Alofanib, 1612888-66-0, UNII-LQX7RFK8MZ, RPT-835, 3-(N-(4-methyl-2-nitro-5-(pyridin-3-yl)phenyl)sulfamoyl)benzoic acid, LQX7RFK8MZ, Alofanib [INN], RPT-835(alofanib), alofanib-rpt835, Alofanib(RPT835), RPT835, SCHEMBL18660613, EX-A2731, AKOS030621794, Benzoic acid, 3-(((4-methyl-2-nitro-5-(3-pyridinyl)phenyl)amino)sulfonyl)-, SB19665, AK668992, ES000835, HY-17601, CS-0014684, QUQGQIASFYWKAB-UHFFFAOYSA-N, A15946,

Complexity	704
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	413.068g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	413.404g/mol
Monoisotopic Mass	413.068g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	151A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited