Sulfadimidin

SULFADIMIDINE · Sulphadimidine · SM2 · Sulphamethazine · sulfametazina · SULFADIMIDIN · SULFAMETAZINE · L-30

Identifikatoren & physikalische Daten

CAS No.	57-68-1
Summenformel	C12H14N4O2S
Durchschnittliche Molmasse	278,33 g/mol
Monoisotopische Masse	278,08374688 g/mol
SMILES	Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIKey	ASWVTGNCAZCNNR-UHFFFAOYSA-N
PubChem CID	5327
ChEMBL	CHEMBL446
ChEBI	CHEBI:102265
EC No.	200-346-4
DTXSID	DTXSID6021290
Lokaler Name	Sulfadimidin

Chemische & physikalische Eigenschaften

XLogP	0,3
Polarare Oberfläche (TPSA)	106
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	3
Schwere Atome	19
Formalladung	0
Komplexität	377
Schmelzpunkt	197 °C
Siedepunkt	294°C (rough estimate)
Dichte	1.2997 (rough estimate)
Brechungsindex	1.6440 (estimate)
Lagerbedingungen	2-8°C
Löslichkeit	acetone: soluble50mg/mL150mg/100mL (29 ºC)
Aggregatzustand	Crystalline Powder
pKa (Säurekonstante)	7.4, 2.65(at 25℃)
Farbe	white to off-white
Merck	14,8905
BRN	261304
Henry-Konstante	3.2×107 mol/(m3Pa) at 25℃, HSDB (2015)
Stabilität	Stable, but light sensitive. Incompatible with strong oxidizing agents.
InChI	1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey	ASWVTGNCAZCNNR-UHFFFAOYSA-N
SMILES	Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
CAS Datenbank	57-68-1(CAS DataBase Reference)
NIST chemische Informationen	Sulfamethazine(57-68-1)
EPA chemische Informationen	Sulfamethazine (57-68-1)

Sicherheit & Vorschriften

F	10
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
Zollcode	29350090
RTECS-Nr.	WO9275000
R-Sätze (R)	36/37/38
Toxizität	LD50 i.p. in mice: 1.06 g/kg (Bobranski)
Gefahrensymbole	Xi
Sicherheitshinweise (S)	23-24/25-36-26
Lagerklasse	11 - Combustible Solids
Gefahrstoffdaten	57-68-1(Hazardous Substances Data)

Anwendungen & Verwendung

Beschreibung

Sulfamethazine is an antibacterial sulfonamide. Like other sulfonamides, sulfamethazine is bacteriostatic, competitively inhibiting dihydropteroate synthase to block folate synthesis and inhibit growth and multiplication. Sulfamethazine is metabolized by cytochrome P450 isoforms and arylamine N-acetyltransferase 2 in a sex-dependent manner.

Verwenden

Sulfamethazine is an antibacterial.This compound is a contaminant of emerging concern (CECs).