설파세타마이드

설파세타마이드 · A-500 · Region · Oclucid · Sebizon · Albucid · Alesten · Sulamyd

식별자 및 물리적 특성

CAS No.	144-80-9
분자식	C8H10N2O3S
평균 분자량	214.24 g/mol
단동위원소 질량	214.04121318 g/mol
SMILES	CC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIKey	SKIVFJLNDNKQPD-UHFFFAOYSA-N
PubChem CID	5320
ChEMBL	CHEMBL455
ChEBI	CHEBI:63845
EC No.	205-640-6
DTXSID	DTXSID8026060
현지명	설파세타마이드

화학 및 물리적 성질

XLogP	-1
극성 표면적	97.6
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	14
형식 전하	0
복잡도	299
의약품	Pharmaceuticals -> AntibioticsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
LogP(분배 계수)	-0.6-0.1
용해도	less than 0.1 mg/mL at 61 °F (NTP, 1992)4.21e+00 g/L>32.1 [ug/mL] (The mean of the results at pH 7.4)에탄올: 용해성50mg/mL
Human Drugs	FDA approved drugs -> Active ingredient
Animal Drugs	Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
녹는점	360 to 363 °F (NTP, 1992)183 °C182-184 °C
Physical Description	Sulfacetamide is a white powder. (NTP, 1992)Solid
Collision Cross Section	154.8 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID8026060]141.79 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]146.9 Å² [M+H]+ [CCS Type: TW152.76 Å² [M+Na]+
밀도	1.3844 (rough estimate)
굴절률	1.5690 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
pKa(산도 계수)	pKa 1.76±0.04(H2O t = 25 I = 0.15 (KCl) Ar atmosphere)(Approximate)5.22±0.01(H2O t = 25 I = 0.15 (KCl) Ar atmosphere)(Approximate)
물리적 상태	가루
색상	흰색에서 황백색까지
용해도	16 ºC에서 <0.01g/100mL
Merck	14,8899
BRN	981718
안정성	안정적인. 강한 산화제, 강염기, 강한 환원제, 강산과 호환되지 않습니다.
주요 응용	임상 시험
InChI	1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
InChIKey	SKIVFJLNDNKQPD-UHFFFAOYSA-N
SMILES	CC(=O)NS(=O)(=O)c1ccc(N)cc1
NIST	N-(p-Aminobenzenesulfonyl)acetamide(144-80-9)
EPA	Sulfacetamide (144-80-9)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 10% (4 of 40) of reports.WarningH317 (77.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P261, P271, P272, P280, P302+P352, P304+P340, P318, P319, P321, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 09-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25894
기타 안전 정보	IMAP assessments - Acetamide, N-[(4-aminophenyl)sulfonyl]-: Environment tier I assessment
화재 위험	Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
반응성 그룹	Amides and Imides
Reactivity Profile	SULFACETAMIDE is an amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generate mixed oxides of nitrogen (NOx)
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Skin Sens. 1 (77.5%)
소화	Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
응급 처치	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

용도

일반 설명

Sulfacetamide’s plasmahalf-life is 7 hours. This compound is a white crystallinepowder, soluble in water (1:62.5 at 37°C) and in alcohol. It is very soluble in hot water, and its water solution is acidic.It has a pKa of 5.4.