MORPHINE SULFATE PENTAHYDRATE

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Keyword(s): Human Neurotoxin
Molecule Category Salt-form
UNII X3P646A2J0
EPA CompTox DTXSID1048914

Structure

InChI Key GRVOTVYEFDAHCL-RTSZDRIGSA-N
Smiles O.O.O.O.O.OS(O)(=O)=O.CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4O)=C35.CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4O)=C35
InChI
InChI=1S/2C17H19NO3.H2O4S.5H2O/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;1-5(2,3)4;;;;;/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t2*10-,11+,13-,16-,17-;;;;;;/m00....../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H50N2O15S
Molecular Weight 758.29
AlogP -2.38
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Polar Surface Area 337.96
Heavy Atoms 52.0

Cross References

Resources Reference
CAS NUMBER 6211-15-0
NORMAN SUSDAT
FDA SRS X3P646A2J0
CONTENTS