베타필로카르핀

(+)-Isopilocarpine

HCID 91468CAS 531-35-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C
InChIKey: QCHFTSOMWOSFHM-WCBMZHEXSA-N
분자식: C11H16N2O2
평균 분자량: 208.26 g/mol
단동위원소 질량: 208.12117775

개요

(+)-isopilocarpine is an isopilocarpine. It is an enantiomer of a (-)-isopilocarpine.

이름 및 식별자

우선 이름: (+)-Isopilocarpine
IUPAC: (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
현지명: 베타필로카르핀
영어명: beta-pilocarpine
분자식: C11H16N2O2
분자량: 208.26

이름 및 동의어

(+)-Isopilocarpineisopilocarpine3-Isopilocarpine531-35-1J9UV7D2OI9CHEBI:39458DTXSID701316166(3R,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one(3R,4R)-3-ETHYL-4-((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)DIHYDROFURAN-2(3H)-ONERefChem:905468CHEBI:39459DTXCID901746030

이름 더 보기

베타필로카르핀β-PilocarpinePilocarpine imp APilocarpine impurity AIsopilocarpine Impurity-APilocarpine Impurity 1 MonomerSpinosad Impurity 1(Spinosyn A)

208-506-5beta-Pilocarpine(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-oneCHEMBL91776UNII-J9UV7D2OI9EINECS 208-506-5Pilocarpine Hydrochloride EP Impurity ASpectrum_001285

데이터베이스 식별자

CAS: 531-35-1
PubChem CID: 91468
DTXSID: DTXSID701316166
ChEMBL: CHEMBL91776
ChEBI: CHEBI:39458
UNII: J9UV7D2OI9
EC Number: 208-506-5
Nikkaji: J182.300K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 245

물리화학적 성질

끓는 점: 431.8 · 431.8±18.0 °C(Predicted)
밀도: 1.22 · 1.22±0.1 g/cm3(Predicted)
산도 계수 (pKa): 7.02 · 7.02±0.10(Predicted)
InChI: InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10+/m0/s1
InChIKey: QCHFTSOMWOSFHM-WCBMZHEXSA-N
SMILES: O1C[C@H](CC2N(C)C=NC=2)[C@@H](CC)C1=O

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Agents causing contraction of the pupil of the eye. Some sources use the term miotics only for the parasympathomimetics but any drug used to induce miosis is included here.

Drugs that bind to and activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC). Muscarinic agonists are most commonly used when it is desirable to increase smooth muscle tone, especially in the GI tract, urinary bladder and the eye. They may also be used to reduce heart rate.

응용 분야

용도An isomeric degradation product of Pilocarpine (P441500) with significantly lower binding affinity to muscarinic cholinergic receptors (～0.1 that of Pilocarpine).

공급사15 곳

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

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

凯试(上海)科技有限公司021-50135380 · [email protected]

Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]

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