1,4:3,6-Dianhydro-D-glucitol-2-nitrat

Isosorbide 2-mononitrate

HCID 62989CAS 16106-20-0
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Grundinformationen

Standard-SMILES
O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIKey
YWXYYJSYQOXTPL-JGWLITMVSA-N
Summenformel
C6H9NO6
Durchschnittliche Molmasse
191,14 g/mol
Monoisotopische Masse
191,04298701

Überblick

for prevention & therapy of angina pectoris

Namen und Bezeichner

Bevorzugter Name
Isosorbide 2-mononitrate
IUPAC
[(3R,3aR,6S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Lokaler Name
1,4:3,6-Dianhydro-D-glucitol-2-nitrat
Englischer Name
Isosorbide 2-mononitrate
Summenformel
C6H9NO6
Molmasse
191.14

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,4
Polarare Oberfläche (TPSA)
93,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
1
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Metabolite of Isosorbide Dinitrate

Physikochemische Eigenschaften

Schmelzpunkt
51.5 °C · >51.5°C
Siedepunkt
326.86 °C · 326.86°C (rough estimate)
Dichte
1.5784 · 1.5784 (rough estimate)
Brechungsindex
1.486 · 1.4860 (estimate)
storage temp.
-20 °C · -20°C Freezer
Löslichkeit
Chloroform (Sparingly), Ethanol (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

hs_code
2932999000
RTECS-Nr.
LZ4385500

Chemie und Industrie

Anwendungen

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

Anbieter46 Anbieter

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]

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