3-Methyl 5-(1-(phenylmethyl)-3-piperidinyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

HCID 2324CAS 91599-75-6

기본 정보

표준 SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1
InChIKey: QZVNQOLPLYWLHQ-UHFFFAOYSA-N
분자식: C28H31N3O6
평균 분자량: 505.6 g/mol
단동위원소 질량: 505.22128571

이름 및 식별자

우선 이름: 3-Methyl 5-(1-(phenylmethyl)-3-piperidinyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
IUPAC: 5-O-(1-benzylpiperidin-3-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
영어명: benidipine
분자식: C28H31N3O6
분자량: 505.56

이름 및 동의어

91599-75-63-Methyl 5-[1-(phenylmethyl)-3-piperidinyl] 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate3-Methyl 5-(1-(phenylmethyl)-3-piperidinyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylateRefChem:2805525-O-(1-benzylpiperidin-3-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl1-(phenylmethyl)-3-piperidinyl ester, [R-(R*,S*)]-3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl1-(phenylmethyl)-3-piperidinyl ester, [S-(R*,S*)]-SCHEMBL24517SCHEMBL30567641GTPL10159BDBM642533DTXSID401107659

이름 더 보기

BISBENZYL PIPERIDYL ESTER3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[1-(phenylmethyl)-3-piperidinyl] ester

RDA59975Benidipine5-(1-Benzylpiperidin-3-yl)US20230414632, Compound I-fNCGC00389410-013-(1-benzylpiperidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateFB176235PD033058

데이터베이스 식별자

CAS: 91599-75-6
PubChem CID: 2324
DTXSID: DTXSID401107659
ChEMBL: CHEMBL2074972
Nikkaji: J312.692G

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 114 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 8
무거운 원자 수: 37
형식 전하: 0
복잡도: 933

물리화학적 성질

끓는 점: 625.2 · 625.2±55.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 8 · 8.00±0.10(Predicted)
물리적 상태: 고체
색상: 밝은 노란색에서 노란색까지
안정성: 흡습성, 수분 민감성

화학 및 산업

공급사7 곳

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연결된 노트

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