Basic information
- CAS
76-24-4- Standard SMILES
O=C1NC(=O)C(O)(C2(O)C(=O)NC(=O)NC2=O)C(=O)N1- InChIKey
IWDDXZKCDHOOSF-UHFFFAOYSA-N- Molecular formula
- C8H6N4O8
- Average molar mass
- 286.16 g/mol
- Monoisotopic mass
- 286.01856316
Overview
alloxantin has been reported in Corbicula japonica with data available.
Names & identifiers
- Preferred name
- Alloxantin
- IUPAC
- 5-hydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione
- English name
- ALLOXANTIN
- Molecular formula
- C8H6N4O8
- Molecular weight
- 286.16
Names & synonyms
ALLOXANTINUroxineUroxin76-24-45-hydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trioneLTL3CDV62U5,5'-Bibarbituric acid, 5,5'-dihydroxy-NSC-76345,5'-Dihydroxy-5,5'-bibarbituric acidDTXSID3058795[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-NSC-118963
Show more names
alloxathinAlloxantin ALLOXANTIN 2-HYDRATEALLOXANTIN HYDRATE 97%5,5Dihydroxy-5,5dibarbiturAlloxane dihydrate (20-22% H2O)5,5’-dihydroxy-5’-bibarbituricacid
(5,5'-Bipyrimidine)-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy(5,5'-Bipyrimidine)-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-RefChem:110848DTXCID5047827200-947-1ALLOXANTIN, DIHYDRATENSC76345,5'-Dihydroxy-5,5'-dibarbituric acid
Database identifiers
- CAS
76-24-4
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 503
Experimental & physicochemical properties
pHAQ SOLN IS ACID
LogP-1.82
Color/FormRHOMBIC PRISMS (WATER+2)
Solubility
SPARINGLY SOL IN COLD WATER, ALCOHOL, ETHER
SLIGHTLY SOL IN WATER, ALC, ETHER; SOL IN HOT WATER
DecompositionMODERATELY DANGEROUS; WHEN HEATED TO DECOMP, IT EMITS TOXIC FUMES OF /NITROGEN OXIDES/.
Other Experimental Properties
BECOMES YELLOW @ 225 °C; DECOMP @ 253-255 °C
REDUCES SILVER SALTS & GIVES BLUE PPT WITH BARIUM HYDROXIDE, ANHYDROUS SOLN
CRYSTALLINE POWDER /DIHYDRATE/
Physicochemical properties
- Melting point
- 250 °C · 250 °C (dec.)(lit.)
- Boiling point
- 428.53 °C · 428.53°C (rough estimate)
- Density
- 1.7122 · 1.7122 (rough estimate)
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 & protection
Storage Conditions
KEEP TIGHTLY CLOSED.
IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.
Toxicology
Human Toxicity ExcerptsDIABETOGENIC
Antidote and Emergency TreatmentTHERAPY FOR DIABETES MELLITUS IF COMPD HAS PRODUCED IT.
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazardous Substances Data
- 76-24-4(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Absorption, Distribution and ExcretionAN ACCUM OF (57)COBALT-LABELED COMPOUNDS BY PANCREAS WAS STUDIED IN WISTAR RATS. (57)CO-LABELED ALLOXANTIN WAS ACCUMULATED IN PANCREAS, WITH HIGH ACCUM BY LIVER & KIDNEY AS WELL.
Uses & manufacturing
Methods of ManufacturingPREPD FROM URIC ACID: NIGHTINGALE, ORG SYN COLL VOL III, 42 (1955); FROM ALLOXAN MONOHYDRATE: TIPSON, IBID, COLL VOL IV, 25 (1963).
General Manufacturing Information
[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-: INACTIVE
ALLOXANTIN & ALLOXANTIN DIHYDRATE ARE FUNGICIDES, BACTERICIDES & HERBICIDES. 60 PPM ALLOXANTIN INHIBITED GROWTH OF FUSARIUM OXYSPORUM, F ROSEUM, RHIZOPUS NIGRICANS, R STOLONIFER, & OTHER FUNGI IN VITRO.
SYNTHESIS OF ALLOXAN: PREPARED BY TREATING ALLOXANTIN WITH FUMING NITRIC ACID: HARTMAN, SHEPPARD, ORG SYN 23, 3 (1943); BY SLOW OXIDATION OF ALLOXANTIN WITH NITRIC ACID @ ROOM TEMP: LIEBIG, ANN 147, 366 (1868)...
Upstream & downstream products
Downstream products
Suppliers18 total
成都彼样生物科技有限公司18108052721 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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