기본 정보
- 표준 SMILES
CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
LLQVTRFPENCFFC-UHFFFAOYSA-N- 분자식
- C20H26ClN3O7S
- 평균 분자량
- 488 g/mol
- 단동위원소 질량
- 487.11799885
이름 및 식별자
- 우선 이름
- 1,2-Ethanediamine, N1-((5-chloro-2-thienyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- IUPAC
- N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- 영어명
- N-[(5-chloro-2-thienyl)methyl]-N',N'-dimethyl-N-2-pyridylethylenediamine 2-hydroxy-1,2,3-propanetricarboxylate
- 분자식
- C20H26ClN3O7S
- 분자량
- 487.95434
이름 및 동의어
Chlorothen citrateChloropyrilene Citrate148-64-1CHLOROTHENIUM CITRATECHLOROMETHAPYRILENE CITRATE0X60R85C0J2-((5-Chloro-2-thenyl)(2-(dimethylamino)ethyl)amino)pyridine citrate (1:1)1,2-Ethanediamine, N1-((5-chloro-2-thienyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)RefChem:125528205-720-01,2-Ethanediamine, N-[(5-chloro-2-thienyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)1,2-Ethanediamine, N-((5-chloro-2-thienyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
이름 더 보기
N-[(5-chloro-2-thienyl)methyl]-N',N'-dimethyl-N-2-pyridylethylenediamine 2-hydroxy-1,2,3-propanetricarboxylate
Chlorothen citrate [NF]UNII-0X60R85C0JEINECS 205-720-0SCHEMBL1649730CHLOROTHEN CITRATE [MI]CHEMBL2104500DTXSID6059734LLQVTRFPENCFFC-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
148-64-1- PubChem CID
- 67362
- DTXSID
DTXSID6059734- ChEMBL
CHEMBL2104500- UNII
- 0X60R85C0J
- EC Number
- 205-720-0
물성
구조 계산 물성
- 극성 표면적
- 180 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 492
물리화학적 성질
- 녹는점
- 112 · 112-116°
- EPA
- 1 · 1,2-Ethanediamine, N-[(5-chloro-2-thienyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (148-64-1)
안전 및 규제
안전 데이터
- tsca
- TSCA listed
- 독성
- LD50 i.p. in mice: 105 mg/kg (Castillo)
화학 및 산업
용도 및 제조
General Manufacturing Information1,2-Ethanediamine, N1-[(5-chloro-2-thienyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1): INACTIVE
공급사1 곳
九江瑞腾生物科技有限公司[email protected]
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