Morphine

Athanor · official

C₁₇H₁₉NO₃ · 285.34 g/mol

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

Also called MS Contin, opiate, opium alkaloid

Drugs Natural products

Open in Athanor

Drawn from its SMILES with RDKit

WarningHarmful if swallowed · May cause an allergic skin reaction · May cause drowsiness or dizziness · Suspected of damaging fertility or the unborn child · Suspected of damaging fertility; Suspected of damaging the unborn child · May cause harm to breast-fed children

Names and identifiers

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
Synonyms: MS Contin, opiate, opium alkaloid
+ 38 more
Morphia, Morphium, Morphina, (-)-Morphine, Morphinum, Ospalivina, Morphin, Duromorph, Meconium, Morphinism, Nepenthe, Dulcontin, Roxanol, Morfina, Morpho, Statex SR, Anhydrous morphine, M-Eslon, Aguettant, Dinamorf, Dimorf, Morphine anhydrous, Morphine (anhydrous), Morphine extended release, (5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol, IDS-NM-009, CHEBI:17303, 4,5alpha-Epoxy-17-methyl-7-morphinen-3,6alpha-diol, N02AA01, 76I7G6D29C, 7,8-Didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol, DTXSID9023336, (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol, 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl-, (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, Chloride, Morphine, (5alpha,6alpha)-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol, morphine tincture
Molecular formula: C₁₇H₁₉NO₃
Empirical formula: C₁₇H₁₉NO₃
Molecular weight: 285.34 g/mol
Exact mass: 285.13649
CAS number: 57-27-2
PubChem CID: 5288826
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
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
InChI: InChI=1S/C17H19NO3/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/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChIKey: BQJCRHHNABKAKU-KBQPJGBKSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

Appearance: White, crystalline alkaloid[1]
Odor: Odorless[1]
Solubility in water: In water, 1.49 × 10² mg/L at 20 °C[1]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
–shown In water, 1.49X10+2 mg/L at 20 °C [1] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 1134
– For more Solubility (Complete) data for MORPHINE (6 total), please visit the HSDB record page. [1] Hazardous Substances Data Bank (HSDB)
log P: log Kow = 0.89[1]

Value	As written	Source
–shown	In water, 1.49X10+2 mg/L at 20 °C	[1] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 1134
–	For more Solubility (Complete) data for MORPHINE (6 total), please visit the HSDB record page.	[1] Hazardous Substances Data Bank (HSDB)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 21
Rings: 5
Aromatic rings: 1
Fraction sp³ carbons (Fsp3): 0.53
H-bond donors: 2
H-bond acceptors: 4
Rotatable bonds: 0
TPSA (Å²): 52.9
Formal charge: 0
XLogP3: 0.8 PubChem
Complexity: 494 PubChem
Stereocenters: 5 definedCIP: C5: S · C14: R · C15: S · C19: R · C20: R
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C71.56%
H6.71%
N4.91%
O16.82%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 1.2 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.58 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 5.27 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 285.34
log P ≤ 5 (Crippen): 1.2
H-bond donors ≤ 5: 2
H-bond acceptors ≤ 10: 4

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 72 company reports to ECHA. Source [2].

Harmful or irritant
Health hazard

H302Harmful if swallowed (98.6% of reports)
H317May cause an allergic skin reaction (27.8% of reports)
H336May cause drowsiness or dizziness (38.9% of reports)
H361Suspected of damaging fertility or the unborn child (27.8% of reports)
H361fdSuspected of damaging fertility; Suspected of damaging the unborn child (25% of reports)
H362May cause harm to breast-fed children (26.4% of reports)

Precautionary statements: P203, P260, P261, P263, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P318, P319, P321, P330, P333+P317, P362+P364, P403+P233, P405, P501

Storage

Morphine sulfate injection should be protected from light and stored at 15-30 °C; the injection should not be frozen. ... Morphine sulfate extended-release liposomal injection (DepoDur) should be stored under refrigeration at 2-8 °C but may be stored at 15-30 °C for up to 7 days in sealed, unopened vials. ... Morphine sulfate soluble tablets, extended-release capsules and tablets, and oral solution should be stored in tight, light-resistant containers at 15-30 °C; freezing of the oral solution should be avoided.[1]

Incompatibilities

Morphine salts are sensitive to changes in pH and morphine is liable to be precipitated out of solution in an alkaline environment. Compounds incompatible with morphine salts include aminophylline and sodium salts of barbiturates and phenytoin.[1]
Morphine sulfate has been reported to be physically or chemically incompatible with solutions containing aminophylline, amobarbital sodium, chlorothiazide sodium, phenytoin sodium, heparin sodium, meperidine hydrochloride, methicillin sodium (no longer commercially available in the US), nitrofurantoin sodium, pentobarbital sodium, phenobarbital sodium, sodium bicarbonate, sodium iodide, and thiopental sodium (no longer commercially available in the US).[1]

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[4]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[5]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[6]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.