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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 5746-40-7, Cysteamine-s-phosphate, Cysteamine s-phosphate, 2-aminoethylsulfanylphosphonic acid, S-(2-aminoethyl) phosphorothioate, S-phosphocysteamine

Molecular Formula

C₂H₈NO₃PS

Molecular Weight

157.13 g/mol

InChI Key

RZPNFYXFSHGGBE-UHFFFAOYSA-N

FDA UNII

WFH6A9S0V4

Proposed as an adjuvant to cancer chemotherapy; may have radiation protective properties.

1 2D Structure

Cysteamine S-phosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-aminoethylsulfanylphosphonic acid

2.1.2 InChI

InChI=1S/C2H8NO3PS/c3-1-2-8-7(4,5)6/h1-3H2,(H2,4,5,6)

2.1.3 InChI Key

RZPNFYXFSHGGBE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CSP(=O)(O)O)N

2.2 Other Identifiers

2.2.1 UNII

WFH6A9S0V4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Beta Aminoethylthiophosphate, Sodium Salt

2. Beta-aminoethylthiophosphate, Sodium Salt

3. Cistafos

4. Cistaphos

5. Cystafos

6. Cystaphos

7. Salt Beta-aminoethylthiophosphate, Sodium

8. Sodium Salt Beta-aminoethylthiophosphate

9. Wr 638

10. Wr-638

11. Wr638

2.3.2 Depositor-Supplied Synonyms

1. 5746-40-7

2. Cysteamine-s-phosphate

3. Cysteamine S-phosphate

4. 2-aminoethylsulfanylphosphonic Acid

5. S-(2-aminoethyl) Phosphorothioate

6. S-phosphocysteamine

7. S-(2-aminoethyl) Dihydrogen Phosphorothioate

8. Wfh6a9s0v4

9. Ethanethiol, 2-amino-, Dihydrogen Phosphate (ester)

10. Nsc-118587

11. Ethanethiol, 2-amino-, S-ester With Phosphorothioic Acid

12. Unii-wfh6a9s0v4

13. Nsc 118587

14. Nciopen2_001142

15. Phosphocysteamine [mi]

16. Schembl1650342

17. Chebi:74951

18. Dtxsid40206069

19. Phosphocysteamine [who-dd]

20. Nsc118587

21. Akos006228066

22. 2-aminoethanethiol Dihydrogen Phosphate

23. [(2-aminoethyl)sulfanyl]phosphonic Acid

24. Thiophosphoric Acid S-(2-aminoethyl) Ester

25. Q27145033

26. Ethanethiol, 2-amino-, 1-(dihydrogen Phosphate)

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂H₈NO₃PS
Molecular Weight	157.13 g/mol
XLogP3	-4.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	156.99625129 g/mol
Monoisotopic Mass	156.99625129 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	102
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Radiation-Protective Agents

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military. (See all compounds classified as Radiation-Protective Agents.)

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