니굴디핀

(+/-)-Niguldipine

HCID 1236

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 102993-22-6
표준 SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
InChIKey: SVJMLYUFVDMUHP-UHFFFAOYSA-N
분자식: C36H39N3O6
평균 분자량: 609.7 g/mol
단동위원소 질량: 609.28388597

개요

Niguldipine is a diarylmethane.

이름 및 식별자

우선 이름: (+/-)-Niguldipine
IUPAC: 5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
현지명: 니굴디핀
영어명: niguldipine
분자식: C36H39N3O6
분자량: 609.719

이름 및 동의어

102993-22-6DL-Niguldipine(+/-)-NiguldipineNiguldipine Free BaseCHEBI:75725-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateCHEMBL1275655NCGC00163135-013-(3-(4,4-Diphenylpiperidin-1-yl)propyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;3-(3-(4,4-Diphenylpiperidin-1-yl)propyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateNiguldipinum [Latin]Niguldipino [Spanish]UNII-6Q39TPF0GL

이름 더 보기

니굴디핀Dnig3-Methyl-5-(3-(4,4-diphenyl-1-piperidinyl)propyl)-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-(4,4-diphenyl-1-piperidinyl)propyl methyl ester3-((4,4-Diphenyl-1-piperidinyl)propyl)-5-methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate hydrochloride3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[3-(4,4-diphenyl-1-piperidinyl)propyl] 5-methyl ester

B8509-035Niguldipine (free base)O5-[3-(4,4-diphenyl-1-piperidyl)propyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateBSPBio_001395KBioGR_000115KBioSS_000115SCHEMBL245993B 844-39

데이터베이스 식별자

CAS: 102993-22-6
PubChem CID: 1236
DTXSID: DTXSID7048407
ChEMBL: CHEMBL1275655
ChEBI: CHEBI:7572
UNII: 6Q39TPF0GL
Nikkaji: J484.606K

물성

구조 계산 물성

XLogP: 6.8
극성 표면적: 114 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 11
무거운 원자 수: 45
형식 전하: 0
복잡도: 1,100

물리화학적 성질

끓는 점: 729.5 · 729.5±60.0 °C(Predicted)
밀도: 1.205 · 1.205±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.45 · 8.45±0.10(Predicted)

화학 및 산업

공급사3 곳

南通全益生物科技有限公司0513-66337626 18051384581 · [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]

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