Spermidine phosphate salt hexahydrate - CAS 23273-82-7
Catalog: |
BB017993 |
Product Name: |
Spermidine phosphate salt hexahydrate |
CAS: |
23273-82-7 |
Synonyms: |
N'-(3-aminopropyl)butane-1,4-diamine;phosphoric acid;hexahydrate |
IUPAC Name: | N'-(3-aminopropyl)butane-1,4-diamine;phosphoric acid;hexahydrate |
Description: | Spermidine phosphate salt hexahydrate (CAS# 23273-82-7) is used in polyamine and bigenic polyamine preparations used in treating critically ill patients. |
Molecular Weight: | 346.28 |
Molecular Formula: | C14H59N6O18P3 |
Canonical SMILES: | C(CCNCCCN)CN.C(CCNCCCN)CN.O.O.O.O.O.O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O |
InChI: | InChI=1S/2C7H19N3.3H3O4P.6H2O/c2*8-4-1-2-6-10-7-3-5-9;3*1-5(2,3)4;;;;;;/h2*10H,1-9H2;3*(H3,1,2,3,4);6*1H2 |
InChI Key: | UYNKOICVVIGVMD-UHFFFAOYSA-N |
Solubility: | Water : 69.2 g/L at 20 °C (68 °F); |
LogP: | -0.26120 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 11 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 692.30987005 |
Formal Charge: | 0 |
Heavy Atom Count: | 41 |
Hydrogen Bond Acceptor Count: | 24 |
Hydrogen Bond Donor Count: | 21 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 692.30987005 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 367 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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