Isosorbide 2-mononitrate

HCID 62989CAS 16106-20-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIKey: YWXYYJSYQOXTPL-JGWLITMVSA-N
분자식: C6H9NO6
평균 분자량: 191.14 g/mol
단동위원소 질량: 191.04298701

개요

for prevention & therapy of angina pectoris

이름 및 식별자

우선 이름: Isosorbide 2-mononitrate
IUPAC: [(3R,3aR,6S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
영어명: Isosorbide 2-mononitrate
분자식: C6H9NO6
분자량: 191.14

이름 및 동의어

Isosorbide 2-nitrate16106-20-0Isosorbide 2-mononitrateIsosorbide-2-mononitrateisosorbide nitrate21BMF8FI0KDTXSID40873331RefChem:792337DTXCID90820835240-271-4D-Glucitol, 1,4:3,6-dianhydro-, 2-nitrate1,4:3,6-Dianhydro-D-glucitol 2-nitrate

이름 더 보기

IS-2-MNinorganicnitrates,isosorbide2-nitrate2-isosorbide mononitrateIsosorbide-2-nitrate CRSIsosorbide EP Impurity BIsosorbide-2-nitrate,99+%ISOSORBIDE-2-MONONITRATEI

(3S,3aS,6R,6aR)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl nitrate[(3R,3aR,6S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate1,4:3,6-dianhydro-2-O-nitro-D-glucitol2-Ismn(3S,3aS,6R,6aR)-6-hydroxy-hexahydrofuro[3,2-b]furan-3-yl nitrate1,4:3,6-Dianhydro-2-nitro-D-glucitolEINECS 240-271-4UNII-21BMF8FI0K

데이터베이스 식별자

CAS: 16106-20-0
PubChem CID: 62989
DTXSID: DTXSID40873331
ChEMBL: CHEMBL1310
UNII: 21BMF8FI0K
EC Number: 240-271-4
Nikkaji: J286.821K

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 93.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 216

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Metabolite of Isosorbide Dinitrate

물리화학적 성질

녹는점: 51.5 °C · >51.5°C
끓는 점: 326.86 °C · 326.86°C (rough estimate)
밀도: 1.5784 · 1.5784 (rough estimate)
굴절률: 1.486 · 1.4860 (estimate)
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(적게), 에탄올(약간), 메탄올(약간)에 용해됨
물리적 상태: crystalline powder
산도 계수 (pKa): 13.09 · 13.09±0.40(Predicted)

화학적 성질

white to ivory crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H242 (60%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationD-Glucitol, 1,4:3,6-dianhydro-, 2-nitrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSelf-react. E (60%)

안전 데이터

rtecs: LZ4385500
HS 번호: 2932999000

화학 및 산업

응용 분야

용도Isosorbide 2-mononitrate is a metabolite of Isosorbide Dinitrate. Used as an antianginal.

공급사46 곳

国药集团化学试剂有限公司86-21-63210123 · [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]

艾吉析科技（上海）有限公司17717235263 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

연결된 노트

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