Dehydro nimodipine

HCID 529928CAS 85677-93-6

기본 정보

표준 SMILES: COCCOC(=O)c1c(C)nc(C)c(C(=O)OC(C)C)c1-c1cccc([N+](=O)[O-])c1
InChIKey: SJJUCKCPGPCJQM-UHFFFAOYSA-N
분자식: C21H24N2O7
평균 분자량: 416.4 g/mol
단동위원소 질량: 416.15835111

이름 및 식별자

우선 이름: Dehydro nimodipine
IUPAC: 5-O-(2-methoxyethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
영어명: NIMODIPINE RELATED COMPOUND A (50 MG) (2-METHOXYETHYL 1-METHYLETHYL 2,6-DIMETHYL-4-(3-NITROPHENYL)PYRIDINE-3,5-DICARBOXYLATE)
분자식: C21H24N2O7
분자량: 416.42

이름 및 동의어

Dehydro nimodipine85677-93-64YH7DI3QES5-O-(2-methoxyethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate2-Methoxyethyl 1-Methylethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) 5-(1-methylethyl) esterNIMODIPINE IMPURITY A [EP IMPURITY]NIMODIPINE IMPURITY A (EP IMPURITY)RefChem:585625889-812-1Nimodipine EP Impurity ANimodipine M (dehydro)

이름 더 보기

Nimodipine EP Imp ANimodipine Impurity 1Nimodipine EP ImpurityNimodipine impurity A (N0850010)Nimodipine USP Related Compound A2-Methoxyethyl 1-Methylethyl 2,6-DiNimodipine Related Compound A (50 mg)

3-Isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylateNimodipine Impurity AUNII-4YH7DI3QESNimodipine impurity A CRSSCHEMBL6955515SCHEMBL29415357SCHEMBL31758234DTXSID901376601

데이터베이스 식별자

CAS: 85677-93-6
PubChem CID: 529928
DTXSID: DTXSID901376601
UNII: 4YH7DI3QES
EC Number: 889-812-1
Nikkaji: J363.765D

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 121 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 30
형식 전하: 0
복잡도: 607

물리화학적 성질

끓는 점: 494.5 · 494.5±45.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
저장 조건: Amber Vial, Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.35 · 2.35±0.28(Predicted)
물리적 상태: liquid
색상: 옅은 노랑
안정성: 감광성
주요 응용: 제약소분자 약용

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933399090
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Metabolism/MetabolitesDehydro nimodipine is a known human metabolite of Nimodipine.

응용 분야

용도Dehydro Nimodipine is the dehydrogenated analogue and the major metabolite of the calcium channel blocker Nimodipine (N478200).

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

天津始加生物医药科技有限公司15022261580 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

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