AG0003XE

101199-38-6 | 10H-Phenothiazine-10-propanesulfonic acid, sodium salt (1:1)

AG0003XE

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CAS Number	101199-38-6
Catalog Number	AG0003XE(AGN-PC-0BS6V9)
Chemical Name	10H-Phenothiazine-10-propanesulfonic acid, sodium salt (1:1)
IUPAC Name	sodium;3-phenothiazin-10-ylpropane-1-sulfonate
InChI	InChI=1S/C15H15NO3S2.Na/c17-21(18,19)11-5-10-16-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)16;/h1-4,6-9H,5,10-11H2,(H,17,18,19);/q;+1/p-1
InChI Key	VKGYKXFNSKEHED-UHFFFAOYSA-M
MDL Number	MFCD08275674
Molecular Formula	C15H14NNaO3S2
Molecular Weight	343.3963
SMILES	O=S(CCCN1C2=C(C=CC=C2)SC3=CC=CC=C13)([O-])=O.[Na+]
Synonyms	101199-38-6, sodium 3-(10H-phenothiazin-10-yl)propane-1-sulfonate, SODIUM PHENOTHIAZINE-10-YL-PROPYLSULFONATE, 10H-Phenothiazine-10-propanesulfonic acid sodium salt, 10H-Phenothiazine-10-propanesulfonic acid, sodium salt, PTZ-343, 10H-Phenothiazine-10-propanesulfonicacid, sodium salt, J-504141, 10H-Phenothiazine-10-propanesulfonic acid, sodium salt (1:1), SPITZ, PubChem24429, sodium;3-phenothiazin-10-ylpropane-1-sulfonate, C15H14NNaO3S2, SCHEMBL48846, DTXSID60635635, VKGYKXFNSKEHED-UHFFFAOYSA-M, ANW-73237, MFCD08275674, AKOS015840920, LS40196, sodiumphenothiazine-10-yl-propylsulfonate, AK105352, AS-17902, BC222249, AB0021177, AB1006865, AX8151580, ST2407577, TC-161982, 4CH-001899, FT-0688575, V2418, KS-00000236, sodium 3-(phenothiazin-10-yl)propane-1-sulfonate, Sodium 3-(10H-phenothiazin-10-yl)-1-propanesulfonate, 3-(10h-phenothiazin-10-yl)-1-propanesulfonic acid sodium salt, 3-(10H-Phenothiazine-10-yl)-1-propanesulfonic acid sodium salt, 10H-Phenothiazine-10-propanesulfonic acid sodium salt; Sodium 3-(10H-phenothiazin-10-yl)propane-1-sulfonate, ACN-039830, CID9884495, A13692, Sodium 3-phenothiazin-10-ylpropane-1-sulfonate,

Complexity	432
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	343.031g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	343.391g/mol
Monoisotopic Mass	343.031g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	94.1A^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	P280-P305+P351+P338
UN Code

Certificate of Analysis

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