Morphine Tartrate

Synopsis, Chemistry

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Also known as: 302-31-8, U3nsu23lhd, (4r,4ar,7s,7ar,12bs)-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;(2r,3r)-2,3-dihydroxybutanedioic acid, Unii-u3nsu23lhd, Einecs 206-122-2, Morphine tartrate (tn)

Molecular Formula

C₃₈H₄₄N₂O₁₂

Molecular Weight

720.8 g/mol

InChI Key

SVTKSKRNLMAUKF-HAIKCVHQSA-N

FDA UNII

U3NSU23LHD

1 2D Structure

Morphine Tartrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;(2R,3R)-2,3-dihydroxybutanedioic acid

2.1.2 InChI

InChI=1S/2C17H19NO3.C4H6O6/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;5-1(3(7)8)2(6)4(9)10/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*10-,11+,13-,16-,17-;1-,2-/m001/s1

2.1.3 InChI Key

SVTKSKRNLMAUKF-HAIKCVHQSA-N

2.1.4 Canonical SMILES

CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

U3NSU23LHD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 302-31-8

2. U3nsu23lhd

3. (4r,4ar,7s,7ar,12bs)-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;(2r,3r)-2,3-dihydroxybutanedioic Acid

4. Unii-u3nsu23lhd

5. Einecs 206-122-2

6. Morphine Tartrate (tn)

7. Dtxsid40184292

8. Morphine Tartrate [mart.]

9. Morphine Tartrate [who-dd]

10. D08234

11. Q27290642

12. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5.alpha.,6.alpha.)-, (2r,3r)-2,3-dihydroxybutanedioate (2:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₄₄N₂O₁₂
Molecular Weight	720.8 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	3
Exact Mass	720.28942484 g/mol
Monoisotopic Mass	720.28942484 g/mol
Topological Polar Surface Area	221 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	628
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3