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Home> Encyclopedia > Hot Product Listed 5   > 5'-Inosinicacid, 2'-deoxy-, disodium salt (9CI)
298-93-1 structure

5'-Inosinicacid, 2'-deoxy-, disodium salt (9CI)

Iupac Name:2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
CAS No.:298-93-1
Molecular Weight:414.32200
Molecular Formula:C11H18N3O8P (isomer)
Names and Identifiers
Synonyms

2-deoxyinosine 5-monophosphate sodium 2'-DEOXYINOSINE 5'-MONOPHOSPHATE SODIUM SALT 2'-DEOXYINOSINE-5'-MONOPHOSPHATE DISODIUM SALT 2-DEOXYINOSINE-5''-MONOPHOSPHATE, DISODIUM SALT (DIMP.NA2) 2''-Deoxyinosine-5''-monophosphoric acid disodium salt 2'-DEOXYINOSINE-5'-PHOSPHATE SODIUM 5'-Inosinic acid, 2'-deoxy-, disodium salt DIMP 2NA dIMP.xNa Inosine,2'-deoxy-, 5'-(dihydrogen phosphate), disodium salt (8CI)

Inchi
InChI=1S/C18H16N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3;1H/q+1;/p-1
InChkey
AZKSAVLVSZKNRD-UHFFFAOYSA-M
Canonical Smiles
CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]
Properties
Appearance
Off-white to WhitePowder
Density
1.03
Melting Point
195°C (dec.)(lit.)
Boiling Point
535.4°Cat760mmHg
HS Code
29341000
Storage temp
−20°C
Safety and Handling
Risk Statements
R46
Safety Statements
S22-S24/25
Safety

Hazard Codes:IrritantXi,HarmfulXn
Risk Statements:36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements:26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany:3

Specification

   2'-Deoxyinosine 5'-monophosphate disodium salt (CAS No.14999-52-1), its synonyms are 2'-Deoxyinosine 5'-monophosphate sodium salt ; 2'-Deoxyinosine-5'-phosphate sodium ; Dimp 2Na ; 2-deoxyinosine 5-monophosphate sodium ; 5'-Inosinic acid, 2'-deoxy-, disodium salt ; 2''-Deoxyinosine-5''-monophosphoric acid disodium salt ; 2-Deoxyinosine-5''-monophosphate, disodium salt (dimp.Na2)  

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Germ cell mutagenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H341 Suspected of causing genetic defects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:414.32200g/mol
  • Molecular Formula:C11H18N3O8P
  • Compound Is Canonicalized:True
  • Exact Mass:413.031
  • Monoisotopic Mass:413.031
  • Complexity:410
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:75.7A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7gABAEAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAAB9AAAHAQIAAAADAiBXwAz0ZYIEAim AyZiZACS9KthCjgcmDQwZJiIIKLgkZGEIABgiAJIyCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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