Sulfamidopyrine

4-N-Desmethylmetamizole · Minocycline EP Impurity E · METAMIZOLE EP IMP E · Metamizole sodium EP Impurity E · Metamizole EP Impurity E Dipirone Impurity E · Metamizole Sodium Impurity 5（Minocycline EP Impurity E） · Metamizole Sodium Impurity 5（Metamizole Sodium EP Impurity E） · [(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]methanesulfonic acid

https://huagongshe.com/de/chemical/19145

Identifikatoren & physikalische Daten

CAS No.	117-38-4
Summenformel	C12H15N3O4S
Durchschnittliche Molmasse	297,33 g/mol
Monoisotopische Masse	297,07832696 g/mol
SMILES	Cc1c(NCS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C
InChIKey	VRESBCAKEFFDQB-UHFFFAOYSA-N
PubChem CID	19145
ChEMBL	CHEMBL6069590
EC No.	809-878-7
DTXSID	DTXSID001017066

Chemische & physikalische Eigenschaften

XLogP	-0,2
Polarare Oberfläche (TPSA)	98,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	4
Schwere Atome	20
Formalladung	0
Komplexität	517
Dichte	1.50±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	1.19±0.50(Predicted)
InChI	InChI=1S/C12H15N3O4S/c1-9-11(13-8-20(17,18)19)12(16)15(14(9)2)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3,(H,17,18,19)
InChIKey	VRESBCAKEFFDQB-UHFFFAOYSA-N
SMILES	C(NC1=C(C)N(C)N(C2=CC=CC=C2)C1=O)S(O)(=O)=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302