Basic information
- CAS
63717-27-1- Standard SMILES
NCCCNCCSP(=O)(O)O.O- InChIKey
CWHOHHKTRJUFTR-UHFFFAOYSA-N- Molecular formula
- C5H17N2O4PS
- Average molar mass
- 232.24 g/mol
- Monoisotopic mass
- 232.0646652
Overview
See also: Amifostine (has active moiety).
Names & identifiers
- Preferred name
- Amifostine Monohydrate
- IUPAC
- 2-(3-aminopropylamino)ethylsulfanylphosphonic acid;hydrate
- English name
- Amifostine hydrate
- Molecular formula
- C5H17N2O4PS
- Molecular weight
- 232.24
Names & synonyms
Amifostine monohydrate63717-27-1L693H6MM64DTXSID70213140RefChem:111981DTXCID70135631Amifostine hydrate2-(3-aminopropylamino)ethylsulfanylphosphonic acid;hydrateAmifostinum [INN-Latin]Amifostina [INN-Spanish]UNII-L693H6MM642-(3-aminopropylamino)ethylsulfanylphosphonic acid hydrate
Show more names
AmifostinaAmifostinumphosphorothioicacid,s-(2-((3-aminopropyl)amino)ethyl)ester,hydrate2-((3-aminopropyl)amino)-ethanethiodihydrogenphosphate(ester)hydratePhosphorothioic acid 2-((3-aminopropyl)amino)ethanethiol S-ester hydratephosphorothioicacid,s-esterwith2-((3-aminopropyl)amino)ethanethiol,hydra
63717-27-1 (monohydrate)Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester) hydratePhosphorothioic acid, S-ester with 2-((3-aminopropyl)amino)ethanethiol, hydrateorb1696347SCHEMBL1231172AMIFOSTINE MONOHYDRATE [MI]T3289LAKOS040752694
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 160 · 160-161° (dec)
- FDA UNII
- 693 H6MM64 · L693H6MM64
- Toxicity
- 50 in · LD50 in mice (mg/kg): 700 i.p. (Piper, Johnston)
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
- Toxicity
- LD50 in mice (mg/kg): 700 i.p. (Piper, Johnston)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs 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.
Suppliers7 total
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences[email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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