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Dihydromorphine

PubChem CID: 5359421

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Compound Synonyms Dihydromorphine, Paramorphan, Paramorfan, 509-60-4, Dihydromorfin, 6-alpha-Hydromorphol, Dihydromorfin [Czech], 7,8-Dihydromorphin, 7,8-DIHYDROMORPHINE, Hydromorphine, UNII-C3S5FRP6JW, C3S5FRP6JW, Morphine, dihydro-, EINECS 208-100-8, NSC 117865, 7,8-Dihydromorphin [IUPAC], DTXSID7048908, 6.alpha.-Hydromorphol, DIHYDROMORPHINE [MI], Morphinan-3,6alpha-diol, 4,5alpha-epoxy-17-methyl-, CHEBI:4575, IDS-ND-009, DIHYDROMORPHINE [WHO-DD], DTXCID4028834, HYDROMORPHOL, 6.ALPHA.-, DIHYDROMORPHINE [USP IMPURITY], NSC-117865, Morphinan-3,6-alpha-diol, 4,5-alpha-epoxy-17-methyl-, Morphinan-3,6-diol, 4,5-epoxy-17-methyl-, (5alpha,6alpha)-, 7,8-Dihydromorphin (IUPAC), HYDROMORPHONE HYDROCHLORIDE IMPURITY D [EP IMPURITY], (5.alpha.,6.alpha.)-4,5-Epoxy-17-methylmorphinan-3,6-diol, Dihydromorphine (1mg/ml in Methanol), DIHYDROMORPHINE (USP IMPURITY), 3,6-DIHYDROXY-(5.ALPHA.,6.ALPHA.)-4,5-EPOXY-17-METHYLMORPHINAN, .alpha.-Dihydromorphine, (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol, Morphine, 7,8-dihydro-, dihydromorphin, HYDROMORPHONE HYDROCHLORIDE IMPURITY D (EP IMPURITY), DEA No. 9145, HYDROMORPHONE HYDROCHLORIDE IMPURITY, DIHYDROMORPHINE (DHM)-(USP IMPURITY), HYDROMORPHONE HYDROCHLORIDE IMPURITY, DIHYDROMORPHINE (DHM)-[USP IMPURITY], NCGC00247721-01, (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo(9.6.1.0^(1,13).0^(5,17).0^(7,18))octadeca-7(18),8,10-triene-10,14-diol, (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,14-diol, (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-7,9-diol, 6alpha-Hydromorphol, alpha-Dihydromorphine, 7,8 dihydromorphine, O-Desmethyldihydrocodeine, 6alpha-7,8-dihydromorphine, CHEMBL1500, Morphinan-3,6.alpha.-diol, 4,5.alpha.-epoxy-17-methyl-, SCHEMBL26346, HYDROMORPHOL, 6ALPHA-, GTPL1616, Tox21_112886, BDBM50452273, DB01565, Dihydromorphine 0.1 mg/ml in Methanol, Dihydromorphine 1.0 mg/ml in Methanol, CAS-509-60-4, NS00001103, Q4161314, (5alpha,6alpha)-4,5-Epoxy-17-methylmorphinan-3,6-diol, 3,6-DIHYDROXY-(5ALPHA,6ALPHA)-4,5-EPOXY-17-METHYLMORPHINAN, Morphinan-3,6-diol, 4,5-epoxy-17-methyl-, (5alpha,6alpha)-(9CI), HYDROMORPHONE HYDROCHLORIDE IMPURITY, DIHYDROMORPHINE (DHM)- [USP IMPURITY]
Topological Polar Surface Area 52.9
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 457.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id P33535, P33533, P34975, P04792
Iupac Name (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Prediction Hob 1.0
Xlogp 1.8
Molecular Formula C17H21NO3
Prediction Swissadme 0.0
Inchi Key IJVCSMSMFSCRME-KBQPJGBKSA-N
Fcsp3 0.6470588235294118
Logs -2.648
Rotatable Bond Count 0.0
Logd 1.247
Compound Name Dihydromorphine
Prediction Hob Swissadme 0.0
Exact Mass 287.152
Formal Charge 0.0
Monoisotopic Mass 287.152
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 287.35
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -2.992254371428571
Inchi InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
Smiles CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Papaver Album (Plant) Rel Props:Reference:
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  • 5. Outgoing r'ship FOUND_IN to/from Papaver Commutatum (Plant) Rel Props:Reference:
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  • 13. Outgoing r'ship FOUND_IN to/from Papaver Persicum (Plant) Rel Props:Reference:
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  • 16. Outgoing r'ship FOUND_IN to/from Papaver Rhoeas (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Papaver Sommiferum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Papaver Tatricum (Plant) Rel Props:Reference:
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