Basic information
- CAS
83519-04-4- Standard SMILES
CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C- InChIKey
ODEDPKNSRBCSDO-UHFFFAOYSA-N- Molecular formula
- C26H56NO5PS
- Average molar mass
- 525.8 g/mol
- Monoisotopic mass
- 525.36168206
Overview
used in treatment of colonic adenocarcinoma in rats; structure given in first source; RN given refers to hydroxide inner salt
Names & identifiers
- Preferred name
- Ilmofosine
- IUPAC
- [2-(hexadecylsulfanylmethyl)-3-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- ILMOFOSINE
- Molecular formula
- C26H56NO5PS
- Molecular weight
- 525.77
Names & synonyms
ILMOFOSINE83519-04-4Thio ALPIlmofosinaSH-MM-lysolecithinIlmofosinumBM 41.440BM-41440DTXSID20490085ZZK34MC3VBM-41.440DTXCID7028934
Show more names
LimofosineBrn 4767637Ilmofosina [spanish]1-Hexadecylthio-2-methoxymethyl-rac-glycero-3-phosphocholine3-(hexadecylthio)-2-(MethoxyMethyl)propyl 2-(triMethylaMMonio)ethyl phosphateBM 41.440, 1-Hexadecylmercapto-2-methoxymethyl-3-propyl phosphoric acid monocholine ester7-(Methoxymethyl)-N,N,N-trimethyl-4-oxylato-4-oxo-3,5-dioxa-9-thia-4-phospha(V)pentacosan-1-aminium4-Oxylato-7-(methoxymethyl)-N,N,N-trimethyl-3,5-dioxa-4-oxo-9-thia-4-phospha(V)pentacosan-1-aminium
1-hexadecylmercapto-2-methoxymethyl-3-propylphosphoric acid monocholine esterHMMPAMRefChem:7905941-mercaptohexadecyl-2-methoxymethyl-syn-glycero-3-phosphocholine635-994-0[2-(hexadecylsulfanylmethyl)-3-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphateNCGC00165808-01Ilmofosine [USAN]
Database identifiers
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 26
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: soluble10mg/mL
- form
- semisolid (waxy)
- FDA UNII
- 5 ZZK34MC3V · 5ZZK34MC3V
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 4758000 · JH4758000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- rtecs
- JH4758000
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Applications
UsesIlmofosine is a PKC inhibitor with efficacy against a variety of cancer cell lines.
Upstream & downstream products
Upstream raw materials
Suppliers3 total
LGM Pharma1-(800)-881-8210 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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