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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1866-68-8, Carbamoylphosphate dilithium salt, Carbamyl phosphate dilithium salt, Dilithium;carbamoyl phosphate, Carbamylphosphatedilithiumsalt, P90e6zc3fb

Molecular Formula

CH₂Li₂NO₅P

Molecular Weight

152.9 g/mol

InChI Key

TUHZSMCNIUXAIJ-UHFFFAOYSA-L

FDA UNII

P90E6ZC3FB

The monoanhydride of carbamic acid with PHOSPHORIC ACID. It is an important intermediate metabolite and is synthesized enzymatically by CARBAMYL-PHOSPHATE SYNTHASE (AMMONIA) and CARBAMOYL-PHOSPHATE SYNTHASE (GLUTAMINE-HYDROLYZING).

1 2D Structure

Dilithium Carbamoyl Phosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dilithium;carbamoyl phosphate

2.1.2 InChI

InChI=1S/CH4NO5P.2Li/c2-1(3)7-8(4,5)6;;/h(H2,2,3)(H2,4,5,6);;/q;2*+1/p-2

2.1.3 InChI Key

TUHZSMCNIUXAIJ-UHFFFAOYSA-L

2.1.4 Canonical SMILES

[Li+].[Li+].C(=O)(N)OP(=O)([O-])[O-]

2.2 Other Identifiers

2.2.1 UNII

P90E6ZC3FB

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Carbamoyl Phosphate

2. Carbamyl Phosphate

3. Carbamyl Phosphate, Dilithium

4. Dilithium Carbamyl Phosphate

5. Phosphate, Carbamoyl

6. Phosphate, Carbamyl

7. Phosphate, Dilithium Carbamyl

2.3.2 Depositor-Supplied Synonyms

1. 1866-68-8

2. Carbamoylphosphate Dilithium Salt

3. Carbamyl Phosphate Dilithium Salt

4. Dilithium;carbamoyl Phosphate

5. Carbamylphosphatedilithiumsalt

6. P90e6zc3fb

7. Einecs 217-480-4

8. Unii-p90e6zc3fb

9. Dilithium Carbamyl Phosphate

10. Schembl412389

11. Dtxsid20171923

12. Lithium Carbamoylphosphate Dibasic

13. Ft-0767267

14. Carbamic Acid, Anhydride With Li2hpo4

15. Lithium Carbamoylphosphate Dibasic Hydrate, >=85%

16. E700fe05-102e-4ccd-b668-d7abf4056d7a

17. Carbamic Acid, Monoanhydride With Phosphoric Acid, Dilithium Salt

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	CH₂Li₂NO₅P
Molecular Weight	152.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	152.99906603 g/mol
Monoisotopic Mass	152.99906603 g/mol
Topological Polar Surface Area	116 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3