AG00BCJN

21886-12-4 | N4-(6-AMINOPYRIMIDIN-4-YL)-SULFANILAMIDE HCL

AG00BCJN

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CAS Number	21886-12-4
Catalog Number	AG00BCJN(AGN-PC-015JPQ)
Chemical Name	N4-(6-AMINOPYRIMIDIN-4-YL)-SULFANILAMIDE HCL
IUPAC Name	4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide;hydrochloride
InChI	InChI=1S/C10H11N5O2S.ClH/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17;/h1-6H,(H2,12,16,17)(H3,11,13,14,15);1H
InChI Key	XBXQRCJKDCEQBS-UHFFFAOYSA-N
MDL Number	MFCD00023272
Molecular Formula	C10H12ClN5O2S
Molecular Weight	301.7526
NSC Number	135258
SMILES	Cl.NC1=CC(=NC=N1)NC1=CC=C(C=C1)S(=O)(=O)N
Synonyms	PNU 112455A, PNU-112455A, PNU112455A, cdk2/5 inhibitor, PNU 112455A hydrochloride, 21886-12-4, PNU 112455A, N4-(6-Aminopyrimidin-4-yl)-sulfanilamide, HCI, AC1Q3D0Q, CTK8F8508, AOB5692, PNU112455A, 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide hydrochloride, IN1382, NSC135258, AKOS024323356, MCULE-3542910777, NSC-135258, BP-13200, PNU112455A, >=98% (HPLC), J-014331, 4-[(6-aminopyrimidin-4-yl)amino]benzene-1-sulfonamide hydrochloride, N4-(6-AMINOPYRIMIDIN-4-YL)-SULFANILAMIDE HCL,

Complexity	361
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.04g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	301.749g/mol
Monoisotopic Mass	301.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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