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| CAS Number | 87-33-2 |
| Catalog Number | AG003R5M(AGN-PC-0VCDB7) |
| Chemical Name | D-Isosorbide dinitrate |
| EC Number | 201-740-9 |
| IUPAC Name | [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate |
| InChI | InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1 |
| InChI Key | MOYKHGMNXAOIAT-JGWLITMVSA-N |
| MDL Number | MFCD00868238 |
| Molecular Formula | C6H8N2O8 |
| Molecular Weight | 236.1363 |
| SMILES | O(N(=O)=O)[C@H]1[C@@H]2[C@H](OC1)[C@H](CO2)ON(=O)=O |
| UNII | IA7306519N |
| Synonyms | Cardonit 40,
Dilatrate,
Dinitrate, Isosorbide,
Iso Bid,
Iso-Bid,
IsoBid,
Isodinit,
Isoket,
Isoket Retard 120,
Isoket Retard-120,
Isoket Retard120,
Isomak R,
Isordil,
Isosorbide Dinitrate,
Isotrate,
Nitrosorbide,
Sorbitrate,
Sorbonit,
ISOSORBIDE DINITRATE,
87-33-2,
Sorbide nitrate,
Isordil,
Nitrosorbide,
Sorbidnitrate,
Isoket,
Dinitrosorbide,
Sorbidilat,
Sorbitrate,
Vascardin,
Carvasin,
Flindix,
Isorbid,
Isotrate,
Sorbonit,
Dilatrate-SR,
Carvanil,
Cedocard,
Claodical,
Cornilat,
Corosorbide,
Difutrat,
Harrical,
ISDN,
Iso-Bid,
Myorexon,
Nitrosorbid,
Nitrosorbon,
Resoidan,
Sorbangil,
Sorbislo,
Vasodilat,
Vasorbate,
Cardis,
Coronex,
Emoper,
Korodil,
Lomilan,
Maycor,
Rigedal,
Sorquad,
Tinidil,
Nosim,
Xanyl,
Sorbide, dinitrate,
Isordil Tembids,
Rifloc Retard,
Dilatrate,
Cardio 10,
Dianhydrosorbitol 2,5-dinitrate,
Astridine,
Isochron,
Isodinit,
Dinitroisosorbide,
Isomak R,
D-Isosorbide dinitrate,
Cardonit 40,
Dignionitrat,
Sorbidinitrate,
Corovliss,
Disorlon,
Langoran,
Laserdil,
Angidil,
Diniket,
Frandol,
Isostat,
Sorbide,
Sorquat,
Sorbidi nitras,
EureCor,
Isosorbide 2,5-dinitrate,
IBD 20,
Dilatrate SR,
Iso-Puren,
Isosorbidi nitras,
Iso-Mack,
Isosorbidi dinitras,
Sorate-5,
Isoket retard 40,
Sorbide T.D.,
Sorate-10,
Dinitrate d'isosorbide,
Dinitrato de isosorbida,
Isosorbide dinitrato [DCIT],
D-Glucitol, 1,4:3,6-dianhydro-, dinitrate,
Isosorbidi dinitras [INN-Latin],
SST-101,
1,4:3,6-Dianhydrosorbitol 2,5-dinitrate,
TYB 3215,
Dinitrate d'isosorbide [INN-French],
SDM No. 40,
SDM No. 50,
Dinitrato de isosorbida [INN-Spanish],
C6H8N2O8,
CCRIS 1910,
1,4:3,6-Dianhydro-D-glucitol dinitrate,
UNII-IA7306519N,
HSDB 3417,
EINECS 201-740-9,
NSC 80038,
UN2907,
CHEBI:6061,
Glucitol, 1,4:3,6-dianhydro-, dinitrate, D-,
NSC80038,
D-Isosorbide dinitrate-Lactose mixture,
IA7306519N,
ISD,
Isoket Retard 120,
(3R,3aS,6S,6aS)-6-(nitrooxy)-hexahydrofuro[3,2-b]furan-3-yl nitrate,
[(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,
DSSTox_CID_25832,
DSSTox_RID_81160,
DSSTox_GSID_45832,
Isosorbide dinitrato,
Isoket Retard-120,
Titradose,
Cedocard Retard,
SMR000857256,
Isordil (TN),
Dilatrate-sr (TN),
SR-05000001658,
Diluted isosorbide dinitrate,
Isosorbide dinitrate [USAN:INN:BAN:JAN],
(3R,3aS,6S,6aS)-hexahydrofuro[3,2-b]furan-3,6-diyl dinitrate,
Isosorbidedinitrate,
CAS-87-33-2,
Prestwick_81,
NCGC00094703-01,
isosorbide-dinitrate,
PubChem5889,
Spectrum_000163,
1,4:3, 6-Dianhydro-D-glucitol dinitrate,
AC1L1NIG,
Prestwick0_000714,
Prestwick1_000714,
Prestwick2_000714,
Prestwick3_000714,
Spectrum2_001069,
Spectrum3_000600,
Spectrum4_000025,
Spectrum5_001057,
1,4:3,6-Dianhydrosorbitol 2, 5-dinitrate,
Isosorbide Dinitrate,(S),
EC 201-740-9,
Isosorbide dinitrate [USAN:USP:INN:BAN:JAN],
SCHEMBL8253,
CHEMBL6622,
1,4:3,6-dianhydro-2,5-di-O-nitro-D-glucitol,
BSPBio_000927,
BSPBio_002080,
KBioGR_000429,
KBioSS_000643,
MLS001333561,
MLS001333562,
ARONIS27194,
DivK1c_000436,
SPECTRUM1500358,
SPBio_001058,
SPBio_002848,
BPBio1_001021,
GTPL7051,
DTXSID0045832,
HMS501F18,
KBio1_000436,
KBio2_000643,
KBio2_003211,
KBio2_005779,
KBio3_001580,
NINDS_000436,
HMS1570O09,
HMS1920H15,
HMS2091P05,
HMS2097O09,
HMS2230C09,
HMS3714O09,
Pharmakon1600-01500358,
KS-000048OE,
1,6-Dianhydro-D-glucitol dinitrate,
Tox21_111317,
CCG-40110,
MFCD00868238,
NSC-80038,
NSC757080,
ZINC18089317,
1,6-Dianhydrosorbitol 2,5-dinitrate,
AKOS015895227,
AKOS015960761,
AKOS015994784,
Tox21_111317_1,
API0003049,
DB00883,
GS-6631,
Isosorbide dinitrate (JP17/USP/INN),
NSC-757080,
RP28223,
IDI1_000436,
KS-000026C5,
NCGC00178830-01,
NCGC00178830-02,
NCGC00178830-05,
AC-12153,
AN-24118,
CC-29721,
D-Glucitol,4:3,6-dianhydro-, dinitrate,
Isosorbide dinitrate mixture with not <60% lactose, mannose, starch or calcium hydrogen phosphate [UN2907] [Flammable solid],
LS-71376,
SBI-0051421.P003,
AB00513900,
FT-0603301,
Glucitol,4:3,6-dianhydro-, dinitrate, D-,
Z1918,
C07456,
D00516,
AB00052026_07,
C-13964,
Glucitol, 1,4:3, 6-dianhydro-, dinitrate, D-,
3,6-Dianhydro-D-glucitol dinitrate ; Dilatrate-SR,
SR-05000001658-1,
SR-05000001658-3,
SR-05000001658-5,
W-104033,
1,4:3,6-dianhydro-2,5-di-O-nitro-D-erythro-hexitol,
Z2433066075,
(3S,3aS,6R,6aS)-6-(nitrooxy)-hexahydrofuro[3,2-b]furan-3-yl nitrate,
[(3R,3aS,6S,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,
[(3S,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate,
Isosorbide dinitrate mixture with not <60% lactose, mannose, starch or calcium hydrogen phosphate,
Isosorbide dinitrate mixture with not <60% lactose, mannose, starch or calcium hydrogen phosphate [UN2907] [Flammable solid],
BiDil,
IsoBid,
Ismotic,
Iso Bid,
Mixture Name,
Isoket Retard120,
isosorbiddinitrat-,
Sorbitrate (TN),
Dinitrate, Isosorbide,
Cedocard (TN),
Isosorbide Dinitrate?,
r-isosorbide dinitrate,
Glucitol, 1,4:3,
D0I1SK,
Diluted Isosorbide Dinitrate?,
CID6883,
C6-H8-N2-O8,
NA2907,
CB10389,
Isosorbide dinitrate (JP15/USP/INN),
(+/-)-AMG 487,
Isosorbide dinitrate [USAN:BAN:INN:JAN],
D-Glucitol, 1,4:3,6-dianhydro-, 2,5-dinitrate,
1,4:3,6-Dianhydro-D-glucitol 2,5-dinitrate,
D-glucitol, 1,4:3,6-dianhidro, 2,5-dinitrato,
D007548,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.136g/mol |
| Monoisotopic Mass | 236.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
| Symbol: | |
| Hazard Class | 4.1 |
| Hazard statements | H302 |
| Packing Group | Ⅱ |
| Precautionary statements | P301+P312+P330 |
| UN Code | UN 2907 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

