Oxmetidine Mesylate
기본 정보
- CAS
84455-52-7- 표준 SMILES
CS(=O)(=O)O.CS(=O)(=O)O.Cc1[nH]cnc1CSCCNc1ncc(Cc2ccc3c(c2)OCO3)c(=O)[nH]1- InChIKey
KSTYTCDFRHRFLH-UHFFFAOYSA-N- 분자식
- C21H29N5O9S3
- 평균 분자량
- 591.7 g/mol
- 단동위원소 질량
- 591.11274104
개요
See also: Oxmetidine (has active moiety).
이름 및 식별자
- 우선 이름
- Oxmetidine Mesylate
- IUPAC
- 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;methanesulfonic acid
이름 및 동의어
Oxmetidine mesylate84455-52-7Oxmetidine mesilateOxmetidine mesylate [USAN]UNII-6804GYV3YSSK&F 92994-J26804GYV3YSSKF-92994-J2SK&F-92994-J2Oxmetidine mesylate (USAN)4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dimethanesulfonate2-((2-(((5-Methylimidazol-4-yl)methyl)thio)ethyl)amino)-5-piperonyl-4(1H)-pyrimidinone dimethanesulfonate
이름 더 보기
2-((2-(((5-METHYLIMIDAZOL-4-YL)METHYL)THIO)ETHYL)AMINO)-5-PIPERONYL-4(1H)-PYRIMIDINONE DIMETHANESULPHONATE4(1H)-PYRIMIDINONE, 5-(1,3-BENZODIOXOL-5-YLMETHYL)-2-((2-(((5-METHYL-1H-IMIDAZOL-4-YL)METHYL)THIO)ETHYL)AMINO)-, DIMETHANESULPHONATE4(3H)-PYRIMIDINONE, 5-(1,3-BENZODIOXOL-5-YLMETHYL)-2-((2-(((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)THIO)ETHYL)AMINO)-, METHANESULFONATE (1:2)2-[[2-[[(5-Methylimidazol-4-yl)methyl]thio]ethyl]amino]-5-piperonyl-4(1H)-pyrimidinone dimethanesulfonateRefChem:168960orb1740893CHEMBL39894655-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;methanesulfonic acid
데이터베이스 식별자
- CAS
84455-52-7- PubChem CID
- 13186930
- ChEMBL
CHEMBL3989465- UNII
- 6804GYV3YS
물성
구조 계산 물성
- 극성 표면적
- 251 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 721
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