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Home> Hot Product Listed M   > METHENAMINE MANDELATE
108321-42-2 structure

METHENAMINE MANDELATE

Iupac Name:(2R,3R,4S,5R)-2-[(1R,2S,3R,4R,6R)-4,6-diamino-3-[(2S,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
CAS No.:108321-42-2
EINECS(EC#): 253-187-8
Molecular Weight:692.702
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

1,3,5,7-TETRAAZATRICYCLO-[3.3.1.1(3)(7)]DECANE MANDELATE SALT HEXAMETHYLENETETRAMINE MANDELATE HEXAMETHYLENETETRAMINE MANDELATE SALT HEXAMINE MANDELATE SALT HEXAMINEMANDELATE Methenamine Mandelate (200 mg) METHENAMINE MANDELATE SALT

Inchi
InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)/t6-,7-,8-,9+,10-,11+,12+,13-,14+,15-,16-,17+,18-,19-,20+;;/m1../s1
InChkey
UHEPSJJJMTWUCP-QOVVLRIDSA-N
Canonical Smiles
CC(C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)O
Properties
Vapour
0mmHg at 25°C
HS Code
29419090
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S36/37
HazardClass
6.1
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 108321-42-2 EC: 253-187-8 METHENAMINE MANDELATE ·ECHA C&L Inventory for CAS: CAS: 108321-42-2 EC: 253-187-8 METHENAMINE MANDELATE
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H317 May cause an allergic skin reaction

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:692.702g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:692.209
  • Monoisotopic Mass:692.209
  • Complexity:763
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:14
  • Hydrogen Bond Acceptor Count:22
  • Topological Polar Surface Area:414A^2
  • Heavy Atom Count:44
  • Defined Atom Stereocenter Count:15
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcfB7vgBgAAAAAAAAAAAAAAAAAAAAAAA0SIAAAAAAAAAAAAAAHgAQCAAADHzxgAcCCALABoAA AAAAADAAAAAAAAAAAIAIAAATEAIAwAAnQAAHEAAXAAHw8C0MAAAAAAAAAAAAgAAUCACgAAAAAAAA AA==
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