AG00352D

16051-77-7 | 1,4:3,6-Dianhydro-D-glucitol 5-nitrate

AG00352D

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CAS Number	16051-77-7
Catalog Number	AG00352D(AGN-PC-0Q7W8L)
Chemical Name	1,4:3,6-Dianhydro-D-glucitol 5-nitrate
EC Number	240-197-2
IUPAC Name	[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
InChI	InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1
InChI Key	YWXYYJSYQOXTPL-SLPGGIOYSA-N
MDL Number	MFCD00143462
Molecular Formula	C6H9NO6
Molecular Weight	191.1388
NSC Number	758619
SMILES	O=[N+]([O-])O[C@H]1[C@](OC[C@@H]2O)([H])[C@]2([H])OC1
UN Number	3251
UNII	LX1OH63030
Synonyms	5-ISMN, 5-ISMN Durules, Elantan, Imdur, Ismo, isosorbide mononitrate, isosorbide-5-mononitrate, isosorbide-5-nitrate, Monizid, Mono Mac 50D, monocinque, Monoket, Mononit, Olicard 40, Olicard-retard, ISOSORBIDE MONONITRATE, Isosorbide 5-mononitrate, 16051-77-7, Monosorbitrate, Imdur, Elantan, Corangin, Monoket, Mononit, Isosorbide-5-mononitrate, ISMN, Isosorbide 5-nitrate, Monolong, Monopront, Monosordil, Nitramin, Orasorbil, Promocard, Sigacora, Sorbimon, Turimonit, Vasdilat, Duride, Imtrate, Ismexin, Medocor, Monicor, Monizid, Olicard, Pertil, Uniket, Ismox, Monodur Durules, Mono Corax, ISMO, vasotrate, Edistol, Epicordin, Etimonis, Isomonat, Isomonit, Monisid, Monoclair, Monotrate, Multitab, Olicardin, Percorina, Titarane, Conpin, Imazin, Imodur, Isomon, Iturol, Monis, Nitex, Plodin, MonoSigma, Elantan Retard, Mono-Sanorania, Monoket Retard, Imdur Durules, Elantan Long, Corangin SR, Mono Mack, Mono-Mack, Conpin Retardkaps, Fem-Mono, ISMN Lannacher, Monoket OD, ISMN Apogepha, ISMN Heumann, ISMN Basics, Mono Corax Retard, Pentacard 20, ISMN Hexal, ISMN Stada, Monocord 20, Monocord 40, Monolong 40, Monolong 60, ISMN Atid, Mononit 20, Mononit 40, Isosorbidi mononitras, Monocord 50 SR, Mononit Retard 50, Isopen-20, 5-Ismn, Imdur 60, ISMN AbZ, Monit 20, ISMN AL, Ismo-20, Mononitrate d'isosorbide, Isosorbidi mononitras [Latin], Mononitrato de isosorbida, isosorbide-5-nitrate, Monocedocard, IS 5MN, Monosorb, Mononitrate d'isosorbide [French], Mononitrato de isosorbida [Spanish], 1,4:3,6-Dianhydro-D-glucitol 5-nitrate, AHR 4698, AHR-4698, D-Glucitol, 1,4:3,6-dianhydro-, 5-nitrate, IS 5-MN, IS-5-MN, UNII-LX1OH63030, CCRIS 1911, BM 22-145, EINECS 240-197-2, UN3251, IHD, 1,4:3,6-dianhydro-5-O-nitro-D-erythro-hexitol, BRN 5851319, 1,4:3,6-dianhydro-5-O-nitro-D-glucitol, BM 22.145, BM-22-145, CHEBI:6062, LX1OH63030, MFCD00143462, [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate, Olicard-retard, (3R,3aS,6S,6aR)-6-hydroxy-hexahydrofuro[3,2-b]furan-3-yl nitrate, Glucitol, 1,4:3,6-dianhydro-, 5-nitrate, D-, C6H9NO6, Olicard 40, 5-ISMN Durules, Mono Mac 50D, Monocord, Monomax, Monit, Monosorb XL 60, Imdur (TN), Isosorbide Mononitrate (Isosorbide 5-Nitrate), Ismo (TN), SR-05000001872, Isosorbide mononitrate [USAN:BAN:INN:JAN], Iso-5-mononitrate, NCGC00159334-02, PubChem5881, 1,4:3,6-Dianhydro-D-glucitol 5-mononitrate, Isosobide-5-mononitrate, AC1L1DOS, DSSTox_CID_3176, IS-5MN, AC1Q21WK, Isosorbide Mononitrate,(S), CHEMBL1311, DSSTox_RID_76905, DSSTox_GSID_23176, Isosorbide mononitrate [USAN:USP:INN:BAN:JAN], SCHEMBL26781, ARONIS24085, (3r,3as,6s,6ar)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl nitrate, GTPL7052, Isosobide-5-mononitrate [UN3251] [Flammable solid], DTXSID9023176, CTK8B2845, BBC/224, YWXYYJSYQOXTPL-SLPGGIOYSA-N, HMS2093K07, HMS3715I08, Pharmakon1600-01503807, HY-B0642, KS-000048OC, ZINC1849548, Tox21_111581, ANW-41163, FCH920306, NSC758619, s4633, SBB080596, AKOS005110986, AC-8830, AN-7633, API0003048, CCG-213200, CS-3495, DB01020, NSC-758619, Isosorbide mononitrate (JP17/USP/INN), NCGC00167981-01, LS-71381, SBI-0206724.P001, AB1009272, CAS-16051-77-7, TR-006818, BB 0261072, I0403, C07714, D00630, AB01563284_01, I14-3287, SR-05000001872-1, SR-05000001872-2, W-107977, BRD-K82225283-001-01-5, Isosobide-5-mononitrate [UN3251] [Flammable solid], Isosorbide Mononitrate 1.0 mg/ml in Dimethyl Sulfoxide, (2S,5S,1R,6R)-6-(nitrooxy)-4,8-dioxabicyclo[3.3.0]octan-2-ol, [(3R,3aS,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate, monocinque, Pentacard, Monite, Elan, Chemydur (TN), Isosorbide Mononitrate?, 5-Isosorbide mononitrate, D0YS7D, Diluted Isosorbide Mononitrate?, C6-H9-N-O6, CID27661, NA3251, Furo(3,2-b)furan, D-glucitol deriv, CB10388, Furo(3,2-b)furan, D-glucitol deriv., Isosorbide mononitrate (JAN/USP/INN), Isosorbide mononitrate [USAN:INN:BAN:JAN], D-glucitol, 1,4:3,6-dianhidro-, 5-nitrato, C030397,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	191.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.139g/mol
Monoisotopic Mass	191.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	93.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H228
Packing Group	\N
Precautionary statements	P240-P241-P280-P301+P312a-P501a-P210-P370+P378
UN Code	\N

Certificate of Analysis

Lot Number