기본 정보
- CAS
99593-25-6- 표준 SMILES
CN(C)C(=O)c1nc(CNC(=O)CN)n(-c2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1- InChIKey
KYHFRCPLIGODFH-UHFFFAOYSA-N- 분자식
- C21H20Cl2N6O3
- 평균 분자량
- 475.3 g/mol
- 단동위원소 질량
- 474.0973939
개요
Rilmazafone is a member of benzophenones.
이름 및 식별자
- 우선 이름
- 5-(((2-Aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide
- IUPAC
- 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
- 현지명
- 릴마자폰
- 영어명
- Rilmazafone
- 분자식
- C21H20Cl2N6O3
- 분자량
- 475.33
이름 및 동의어
Rilmazafone99593-25-6RilmazafonaRilmazafonumCU3H37T766DTXSID102441501H-1,2,4-Triazole-3-carboxamide, 5-(((aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-dimethyl-, monohydrochlorideRefChem:913030S 450191S-450191DTXCID101666415-(((2-Aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide
이름 더 보기
릴마자폰Rhythmy450191-S2',5-dichloro-2-(3-dimethylcarbamoyl-5-glycylaminomethyl-1H-1,2,4-triazol-1-yl)benzophenoneN,N-Dimethyl-1-[2-(2-chlorobenzoyl)-4-chlorophenyl]-5-(aminoacetylaminomethyl)-1H-1,2,4-triazole-3-carboxamide5-((2-Aminoacetamido)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide5-[[(Aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide5-[[(Aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N，N-dimethyl-1H-1，2，4-triazole-3-earboxamide1H-1,2,4-Triazole-3-carboxamide, 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-
Rilmazafone [INN]Rilmazafonum [Latin]Rilmazafona [Spanish]UNII-CU3H37T7665-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamideRilmazafone (INN)1H-1,2,4-Triazole-3-carboxamide, 5-(((aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N,N-dimethyl-5-((2-Aminoacetamido)methyl)-1-(4-chloro-2-(o-chlorobenzoyl)phenyl)-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide
데이터베이스 식별자
- CAS
99593-25-6- PubChem CID
- 5069
- DTXSID
DTXSID10244150- ChEMBL
CHEMBL2107197- ChEBI
CHEBI:135767- UNII
- CU3H37T766
- Nikkaji
- J22.811G
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 696
물리화학적 성질
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.13 · 13.13±0.46(Predicted)
- InChI
- InChI=1S/C21H20Cl2N6O3/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23/h3-9H,10-11,24H2,1-2H3,(H,25,30)
- InChIKey
- KYHFRCPLIGODFH-UHFFFAOYSA-N
- SMILES
- N1(C2=CC=C(Cl)C=C2C(=O)C2=CC=CC=C2Cl)C(CNC(CN)=O)=NC(C(N(C)C)=O)=N1
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationDrugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
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