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Paromamine Trihydrochloride

CAT: 0572-TRC-P195340-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P195340-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18685-97-7
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
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Cl.Cl.Cl.N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1O
Molecular Formula
C12 H25 N3 O7 . 3 H Cl
Molecular Weight
432.72
InChI
InChI=1S/C12H25N3O7.3ClH/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12;;;/h3-12,16-20H,1-2,13-15H2;3*1H/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-;;;/m1.../s1
Additionnal Information
IUPAC name: (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-2-(hydroxymethyl)tetrahydropyran-3,4-diol;trihydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Paromamine trihydrochloride
CAS Number18685-97-7
PubChem CID92135131
IUPAC Name(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol;trihydrochloride
Molecular FormulaC12H28Cl3N3O7
Molecular Weight432.7
Topological Polar Surface Area198
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity377
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)N.Cl.Cl.Cl
InChI
InChI=1S/C12H25N3O7.3ClH/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12;;;/h3-12,16-20H,1-2,13-15H2;3*1H/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-;;;/m1.../s1
InChIKey
CBBUYCLHSMNAGW-MHFNDSQWSA-N
Chemical Structure
2D Structure
2D structure of Paromamine trihydrochloride
CAS: 18685-97-7
CID: 92135131
Formula: C12H28Cl3N3O7
MW: 432.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass431.099283
Monoisotopic Mass431.099283
Topological Polar Surface Area198 Ų
Heavy Atom Count25
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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