Amoscanate

HCID 33488CAS 26328-53-0

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(Nc2ccc(N=C=S)cc2)cc1
InChIKey: DKVNAGXPRSYHLB-UHFFFAOYSA-N
분자식: C13H9N3O2S
평균 분자량: 271.3 g/mol
단동위원소 질량: 271.04154753

개요

Amoscanate is an isothiocyanate that is phenyl isothiocyanate in which the hydrogen at the para- position has been replaced by a 4-nitroanilinyl group. It has a role as a schistosomicide drug. It is a C-nitro compound, a secondary amino compound and an isothiocyanate. It is functionally related to a diphenylamine.

이름 및 식별자

우선 이름: Amoscanate
IUPAC: 4-isothiocyanato-N-(4-nitrophenyl)aniline
영어명: Amoscanate
분자식: C13H9N3O2S
분자량: 271.29

이름 및 동의어

Amoscanate26328-53-0Nithiocyamine4-isothiocyanato-N-(4-nitrophenyl)anilineAmoscanatoAmoscanatump-(p-Nitroanilino)phenyl isothiocyanateCiba 9333 GO4-Isothiocyanato-4'-nitrodiphenylamineCCRIS 41114-(4-Nitroanilino)phenylisothiocyanat4-Isothiocyanato-N-(4-nitrophenyl)benzenamine

이름 더 보기

CGP-4540C-9333 GOCIBA-9333 GOamoscanate USP/EP/BPN-(4-isothiocyanatophenyl)-4-nitroaniline4-Nitro-4'-iso-thiocyanate diphenyl amine4-Isothiocyanato-N-(4-nitrophenyl)-aniline

CGP 4540C 9333 GOGO 9333X0MK46CVRBISOTHIOCYANIC ACID, p-(p-NITROANILINO)PHENYL ESTERCHEBI:38944DTXSID90180946nithiocyanamine

데이터베이스 식별자

CAS: 26328-53-0
PubChem CID: 33488
DTXSID: DTXSID90180946
ChEMBL: CHEMBL93385
ChEBI: CHEBI:38944
UNII: X0MK46CVRB
Nikkaji: J20.593A

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 102 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 349

물리화학적 성질

녹는점: 196 · 196-198°
끓는 점: 469.7 · 469.7±30.0 °C(Predicted)
밀도: 1.3474 · 1.3474 (rough estimate)
굴절률: 1.674 · 1.6740 (estimate)
산도 계수 (pKa): -3.5 · -3.50±0.40(Predicted)
물리적 상태: Solid
색상: 아세톤에서 얻은 결정입니다

안전 및 규제

안전 데이터

독성: dnr-esc 1 g/L MUREAV 164,9,86

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 4건

Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.

Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice.

Pharmacological agents destructive to nematodes in the superfamily Filarioidea.

Agents that act systemically to kill adult schistosomes.

상·하류 제품 정보

상류 원료

공급사18 곳

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

연결된 노트

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