기본 정보
- 표준 SMILES
Cc1cc(Cl)ccc1Cn1nc(C(=O)O)c2ccccc21- InChIKey
IWKDFIXLGQOEKD-UHFFFAOYSA-N- 분자식
- C16H13ClN2O2
- 평균 분자량
- 300.74 g/mol
- 단동위원소 질량
- 300.06655534
개요
Tolnidamine is an indazole carboxylic acid derivative with antispermatogenic and potential antineoplastic activity. As a male contraceptive, tolnidamine may irreversibly inhibit sperm production. This agent is less nephrotoxic than ionidamide, but it is just as effective in antispermatogenic action to ionidamide.
이름 및 식별자
- 우선 이름
- Tolnidamine
- IUPAC
- 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carboxylic acid
- 현지명
- 톨니다민
- 영어명
- Tolnidamine
- 분자식
- C16H13ClN2O2
- 분자량
- 300.74
이름 및 동의어
Tolnidamine50454-68-7TolnidaminumtolnidaminaZ5M7SC6D5PNSC-283448DTXSID10198487NSC2834481b IndozadoleRefChem:190298DTXCID401209781b, Indazole
이름 더 보기
톨니다민NSC 2834481-(4-chloro-2-methyl-benzyl)indazole-3-carboxylic acid1-[(4-chloro-2-methyl-phenyl)methyl]indazole-3-carboxylic acid1H-Indazole-3-carboxylic acid, 1-[(4-chloro-2-methylphenyl)methyl]-
Tolnidamine [INN]1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carboxylic acid1-(4-Chloro-2-methylbenzyl)-1H-indazole-3-carboxylic acidTolnidamide1-((4-Chloro-2-methylphenyl)methyl)-1H-indazole-3-carboxylic acid1-[(4-Chloro-2-methylphenyl)methyl]-1H-indazole-3-carboxylic acidTolnidaminoTolnidaminum [INN-Latin]
데이터베이스 식별자
- CAS
50454-68-7- PubChem CID
- 68679
- DTXSID
DTXSID10198487- ChEMBL
CHEMBL2107293- UNII
- Z5M7SC6D5P
- Nikkaji
- J10.490F
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 55.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 392
물리화학적 성질
- 녹는점
- 220 °C · 220°C (rough estimate)
- 밀도
- 1.2682 · 1.2682 (rough estimate)
- 굴절률
- 1.52 · 1.5200 (estimate)
화학 및 산업
공급사3 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
관련 반응
5건
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