기본 정보
- CAS
113759-50-5- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC2COC3(CCN(c4ccc(Cl)cc4)CC3)O2)C1c1cccc([N+](=O)[O-])c1- InChIKey
CNIJVNPIIHWRRP-UHFFFAOYSA-N- 분자식
- C30H32ClN3O8
- 평균 분자량
- 598 g/mol
- 단동위원소 질량
- 597.1877927
개요
Cronidipine is a calcium channel blocker.
이름 및 식별자
- 우선 이름
- Cronidipine
- IUPAC
- 5-O-[[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 현지명
- 크로니디핀
- 영어명
- Cronidipine
- 분자식
- C30H32ClN3O8
- 분자량
- 598.04
이름 및 동의어
Cronidipine113759-50-5CronidipinoCronidipine [INN]CronidipinumCronidipinum [INN-Latin]UNII-7TXJ9MY5V9Cronidipino [INN-Spanish]7TXJ9MY5V9LF 2-0254(8-(p-Chlorophenyl)-1,4-dioxa-8-azaspiro(4,5)dec-2-yl)methyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylateCronidipinum (INN-Latin)
이름 더 보기
크로니디핀1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-2-yl]methyl 5-methyl ester
Cronidipino (INN-Spanish)3-[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-2-yl]methyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate3-(8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro(4.5)decan-2-yl)methyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:1285205-O-[[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate(8-aza-8-(4-chlorophenyl)-1,4-dioxaspiro-4,5-decan-2-yl)methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]dec-2-yl]methyl] 5-methyl esterLF-2-0254
데이터베이스 식별자
- CAS
113759-50-5- PubChem CID
- 65918
- DTXSID
DTXSID00921185- ChEMBL
CHEMBL2106056- UNII
- 7TXJ9MY5V9
- Nikkaji
- J227.898G
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,100
물리화학적 성질
- 녹는점
- 75 · 75-80 °C
- 끓는 점
- 750.9 · 750.9±60.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.08 · 4.08±0.60(Predicted)
화학 및 산업
응용 분야
용도Anti-asthmatic (prophylactic).
공급사6 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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