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Home> Encyclopedia > Hot Product Listed C   > Creatine phosphate disodium salt
922-32-7 structure

Creatine phosphate disodium salt

Iupac Name:disodium;2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid;tetrahydrate
CAS No.:922-32-7
EINECS(EC#): 213-074-6
Molecular Weight:255.08
Molecular Formula:C4H8N3Na2O5P (isomer)
Names and Identifiers
Synonyms

2-{[imino(phosphonoamino)methyl]methylamino}acetic acid, sodium salt, sodium s alt 6190-45-0 922-32-7 AC1L2GG6 ACN-048747 AKOS024319114 AKOS030641062 Creatine phosphate disodium Creatine phosphate disodium salt and Intermediates Creatine phosphate disodium salt hydrate Creatine Phosphate Sodium CREATINE PHOSPHATE SODIUM FOR LNJECTION creatine-phosphate-disodium-salt Creatinephosphoricaciddisodiumsalttetrahydrate DISODIUM [(CARBOXYMETHYL)(METHYL)AMINO](IMINO)METHYLAMIDOPHOSPHATE disodium 2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid Disodium N-methyl-N-(N-phosphonatocarbamimidoyl)glycine Disodium phosphocreatine FT-0603526 Glycine,N-[iMino(phosphonoaMino)Methyl]-N-Methyl-, sodiuM salt (1:2) L-Glutamine AKG MFCD00014351 (97%) n-[imino(phosphonoamino)methyl]-n-methyl-glycindisodiumsalt Phosphocreatine Sodium SaltCreatine Phosphate Sodium SaltSodium Phosphocreatine SCHEMBL1640494 SodiuM 2-(1-Methylguanidino)acetate hydrogenphosphate tetrahydrate Sodium Creatine PhosphateSodium Phosphocreatine Phosphocreatine Sodium Salt sodium N-(carboxymethyl)-N-methylcarbamimidoylphosphoramidate ST50409563 SY069439

Inchi
InChI=1S/C4H10N3O5P.2Na.4H2O/c1-7(2-3(8)9)4(5)6-13(10,11)12;;;;;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;;4*1H2/q;2*+1;;;;/p-2
InChkey
HUWYWJSJJDCZRQ-UHFFFAOYSA-L
Canonical Smiles
CN(CC(=O)O)C(=NP(=O)([O-])[O-])N.O.O.O.O.[Na+].[Na+]
Isomers Smiles
CN(CC(=O)O)/C(=N/P(=O)(O)O)/N
Properties
Appearance
White or almost white crystalline powder
Boiling Point
520.3 °C at 760 mmHg
Flash Point
268.5 °C
Solubility
soluble
Color/Form
White
Stability
Stable under normal temperatures and pressures.
Storage temp
2-8°C
Safety and Handling
Hazard Codes
Xn
Risk Statements
20/21/22-36/37/38
Safety Statements
22-24/25-36-26
Specification

The IUPAC name of?Glycine,N-[imino(phosphonoamino)methyl]-N-methyl-, sodium salt (1:2) is?disodium 2-[methyl-[(E)-N'-phosphonatocarbamimidoyl]amino]acetic acid. With the?CAS registry number 922-32-7,?it is also named as Disodium creatine phosphate. In addition, it is?white powder which is soluble in water and stable under normal temperture and pressure.?Moreover, it must be sealed in the container.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: -2.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7; (4)ACD/LogD (pH 7.4): -7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 268.5 °C; (13)Enthalpy of Vaporization: 86.8 kJ/mol; (14)Boiling Point: 520.3 °C at 760 mmHg; (15)Vapour Pressure: 3.19E-12 mmHg at 25°C; (16)Rotatable Bond Count: 3; (17)Tautomer Count: 3; (18)Exact Mass: 254.999696; (19)MonoIsotopic Mass: 254.999696; (20)Topological Polar Surface Area: 142; (21)Heavy Atom Count: 15.

Uses of Glycine,N-[imino(phosphonoamino)methyl]-N-methyl-, sodium salt (1:2): It is an endogenous substance found mainly in skeletal muscle of vertebrates. It has been tried in the treatment of cardiac disorders and has been added to cardioplegic solutions. As its usage, this chemical is used as additive of drugs and health products.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed, so people should?not breathe dust.?And it is irritating to eyes, respiratory system and skin,?so people must avoid contact with skin and eyes.?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].[Na+].[O-]P([O-])(=O)/N=C(\N)N(C)CC(=O)O
2. InChI:InChI=1/C4H10N3O5P.2Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-2

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H332 Harmful if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

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

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

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

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.

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:255.08g/mol
  • Molecular Formula:C4H8N3Na2O5P
  • Compound Is Canonicalized:True
  • Exact Mass:327.042
  • Monoisotopic Mass:327.042
  • Complexity:259
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:146A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:7
  • CACTVS Substructure Key Fingerprint: AAADceBjPDIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQiCAAAADBgAQDCANAAhAo QACQKIAAAAAAAAABAACIAACCAAAACCAAAAAAAAIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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