기본 정보
- CAS
7187-55-5- 표준 SMILES
CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21- InChIKey
FYXWDSGGZAMYFZ-UHFFFAOYSA-N- 분자식
- C23H23N2S2+
- 평균 분자량
- 391.6 g/mol
- 단동위원소 질량
- 391.13026609
개요
Dithiazanine is a highly potent anthelmintic, introduced in 1959 for the treatment of strongyloid worms and whipworms. However, its use is severely limited due to its toxicity. Dithiazanine iodide was associated with eight fatal cases of severe acidosis and shock between 1961 and 1964. Dithiazanine iodide has been withdrawn from the market in countries such as France in Italy, but it may remain available in others.
이름 및 식별자
- 우선 이름
- 3-Ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole
- IUPAC
- 3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole
이름 및 동의어
SCHEMBL1567134CHEMBL11855683-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium--iodide (1/1)
데이터베이스 식별자
- CAS
7187-55-5- PubChem CID
- 10579
- DTXSID
DTXSID0048264- ChEMBL
CHEMBL1185568
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 1
- 복잡도
- 537
관련 반응
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