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Disodium carbamoyl phosphate

HCID 11970596
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Basic information

CAS
72461-86-0
Standard SMILES
NC(=O)OP(=O)([O-])[O-].[Na+].[Na+]
InChIKey
ZZRCKSSPGJOTEE-UHFFFAOYSA-L
Molecular formula
CH2NNa2O5P
Average molar mass
184.98 g/mol
Monoisotopic mass
184.94659773

Names & identifiers

Preferred name
Disodium carbamoyl phosphate
IUPAC
disodium;carbamoyl phosphate
English name
CARBAMYL PHOSPHATE DISODIUM SALT
Molecular formula
CH2NNa2O5P
Molecular weight
184.98

Names & synonyms

72461-86-0Carbamyl phosphate disodium saltDisodium carbamoyl phosphatedisodium;carbamoyl phosphatedisodium (carbamoyloxy)phosphonateCarbamylphosphatedisodiumsaltdisodium carbamyl phosphateCHEMBL186043Carbamyl phosphate disodiumEINECS 276-671-0disodium carbamylphosphateCarbamoyl Phosphate Di Sodium
Show more names
15 x 1 gcarbamoylphosphate sodium saltCarbaMyl phosphate disodiuM salt >=80%Carbamic acid (phosphoric disodium)anhydride saltCarbamic acid,monoanhydride with phosphoric acid, disodium salt (9CI)
orb2566457SCHEMBL5159584MSK162736Na2-1000WNS00091654G77820T86226EN300-6734383Carbamoyl phosphate disodium salt Solution in Water, 1000ug/mL

Database identifiers

CAS
72461-86-0
PubChem CID
11970596
ChEMBL
CHEMBL186043
EC Number
276-671-0

Properties

Computed structural properties

Topological polar surface area
116 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
124

Physicochemical properties

storage temp.
-20 °C · -20°C
form
powder
color
White to off-white
InChI
1S/CH4NO5P.2Na/c2-1(3)7-8(4,5)6;;/h(H2,2,3)(H2,4,5,6);;/q;2*+1/p-2
InChIKey
ZZRCKSSPGJOTEE-UHFFFAOYSA-L
SMILES
[Na].NC(=O)OP(O)(O)=O
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
PPE
95 · Eyeshields, Gloves, type N95 (US)
WGK Germany
3 · 3
Storage Class
11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

UsesCarbamyl Phosphate Disodium Salt is used as a pharmaceutical intermediate. Carbamyl Phosphate Disodium Salt is an anti-sickling agent, it inhibits the sickling of erythrocytes in vitro.

Related reactions

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Compound notes

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