1-Deoxy-1-(methylamino)-D-galactitol

HCID 12598090CAS 7115-46-0

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Basic information

Standard SMILES: CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIKey: MBBZMMPHUWSWHV-WNJXEPBRSA-N
Molecular formula: C7H17NO5
Average molar mass: 195.21 g/mol
Monoisotopic mass: 195.11067264

Names & identifiers

Preferred name: 1-Deoxy-1-(methylamino)-D-galactitol
IUPAC: (2R,3S,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
English name: 1-Deoxy-1-(methylamino)-D-galactitol
Molecular formula: C7H17NO5
Molecular weight: 195.21

Names & synonyms

1-Deoxy-1-(methylamino)-D-galactitol7115-46-0DTXSID80503903RefChem:229926DTXCID70454713(2R,3S,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol1-Deoxy-1-methylamino-D-galactitol(2R,3S,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaolC7H17NO5SCHEMBL724392MBBZMMPHUWSWHV-WNJXEPBRSA-NAKOS006272159

Show more names

N-methyl-galactamineD-Galactitol, 1-deoxy-1-(methylamino)-1-DEOXY-1-(METHYLAMINO)-D-GALACTITOL 9&

N-methyl-(2(S),3(R),4(S),5(R),6-pentahydroxy-hexyl)-amineN-methyl-(2 (S),3 (R),4 (S),5 (R),6-pentahydroxy-hexyl)-amine

Database identifiers

CAS: 7115-46-0
PubChem CID: 12598090
DTXSID: DTXSID80503903

Properties

Computed structural properties

XLogP: -2.8
Topological polar surface area: 113 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 13
Formal charge: 0
Complexity: 134

Physicochemical properties

Melting point: 133 · 133-136 °C(lit.)
Boiling point: 490.4 · 490.4±45.0 °C(Predicted)
Density: 1.375 · 1.375±0.06 g/cm3(Predicted)
pka: 13.47 · 13.47±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
WGK Germany: 3 · 3

Safety & regulation

Safety data

wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesD-(-)-N-Methylgalactamine is used as a starting material for the preparation of sulfoximine-nicotine derivatives that are kinase inhibitors useful in the treatment of proliferative diseases as well as novel tricyclic benzodiazepine carboxamides that are tocolytic oxytocin receptor antagonists.