Sulfamidopyrine

HCID 19145CAS 117-38-4

기본 정보

표준 SMILES: Cc1c(NCS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C
InChIKey: VRESBCAKEFFDQB-UHFFFAOYSA-N
분자식: C12H15N3O4S
평균 분자량: 297.33 g/mol
단동위원소 질량: 297.07832696

이름 및 식별자

우선 이름: Sulfamidopyrine
IUPAC: [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
영어명: [(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]methanesulfonic acid
분자식: C12H15N3O4S
분자량: 297.33

이름 및 동의어

Sulfamidopyrine117-38-4((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methanesulfonic acid(Antipyrinylamino)methanesulfonic acidSULFAMPYRINEMethanesulfonic acid, (antipyrinylamino)-Metamizole impurity E [USP-MC]Sulfamidopyrine [WHO-DD]727Q94151QDTXSID001017066[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methanesulfonic acidMethanesulfonic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)-

이름 더 보기

4-N-DesmethylmetamizoleMinocycline EP Impurity EMETAMIZOLE EP IMP EMetamizole sodium EP Impurity EMetamizole EP Impurity E Dipirone Impurity EMetamizole 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 acidMethanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methanesulfonic acid (Metamizole Impurity)

Methanesulfonic acid, 1-((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)-4-N-DESMETHYLMETAMIZOLE [EP IMPURITY]Metamizole impurity E (USP-MC)METAMIZOLE SODIUM MONOHYDRATE IMPURITY E [EP IMPURITY]4-N-DESMETHYLMETAMIZOLE (EP IMPURITY)METAMIZOLE SODIUM MONOHYDRATE IMPURITY E (EP IMPURITY)RefChem:889522DTXCID40912416

데이터베이스 식별자

CAS: 117-38-4
PubChem CID: 19145
DTXSID: DTXSID001017066
ChEMBL: CHEMBL6069590
UNII: 727Q94151Q
EC Number: 809-878-7
Nikkaji: J49.702I

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 98.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 517

물리화학적 성질

밀도: 1.5 · 1.50±0.1 g/cm3(Predicted)
산도 계수 (pKa): 1.19 · 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

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사22 곳

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

연결된 노트

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