Carbamyl phosphate disodium salt - CAS 72461-86-0

Catalog:	BB034626
Product Name:	Carbamyl phosphate disodium salt
CAS:	72461-86-0
Synonyms:	disodium;carbamoyl phosphate

Technical Data

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Computed Properties

IUPAC Name:	disodium;carbamoyl phosphate
Description:	Carbamyl phosphate disodium salt (CAS# 72461-86-0) is used as a pharmaceutical intermediate. Carbamyl Phosphate Disodium Salt is an anti-sickling agent, it inhibits the sickling of erythrocytes in vitro.
Molecular Weight:	184.98
Molecular Formula:	CH2NNa2O5P
Canonical SMILES:	C(=O)(N)OP(=O)([O-])[O-].[Na+].[Na+]
InChI:	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
InChI Key:	ZZRCKSSPGJOTEE-UHFFFAOYSA-L
Boiling Point:	403.3 °C at 760 mmHg
Purity:	95 %
Storage:	-20 °C
LogP:	0.75110

Publication Number	Title	Priority Date
CN-113200878-A	Circulation method for producing taurine from ethanolamine	20200909
CN-113200879-A	Circulation method for producing taurine from ethanolamine	20200909
CN-113214095-A	Circulation method for producing taurine from ethanolamine	20200909
CN-111807990-A	Intermediate for preparing trifloxystrobin and synthetic method thereof	20200724
CN-111807990-B	Intermediate for preparing trifloxystrobin and synthetic method thereof	20200724

PMID	Publication Date	Title	Journal
15501037	20041206	Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with phosphates, carbamoyl phosphate, and the phosphonate antiviral drug foscarnet	Bioorganic & medicinal chemistry letters

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Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.94659773
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.94659773
Rotatable Bond Count:	1
Topological Polar Surface Area:	116
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0