Basic information
- CAS
3914-34-9- Standard SMILES
Nc1[nH]c(=O)[nH]c(=O)c1O- InChIKey
SPOYOCCBDWULRZ-UHFFFAOYSA-N- Molecular formula
- C4H5N3O3
- Average molar mass
- 143.1 g/mol
- Monoisotopic mass
- 143.03309103
Overview
aglycone of convicine
Names & identifiers
- Preferred name
- Isouramil
- IUPAC
- 6-amino-5-hydroxy-1H-pyrimidine-2,4-dione
- English name
- 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-hydroxy- (9CI)
- Molecular formula
- C4H5N3O3
- Molecular weight
- 143.1
Names & synonyms
Isouramil3914-34-95,6-Dihydroxycytosine6-Amino-2,4,5-trihydroxypyrimidineDTXSID90192387RefChem:150094DTXCID001148786-Aminopyrimidine-2,4,5-triol6-amino-5-hydroxy-1H-pyrimidine-2,4-dione6-amino-5-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 6-amino-5-hydroxy-2,4(1H,3H)-Pyrimidinedione, 6-amino-5-hydroxy- (9CI)
Show more names
6-amino-5-hydroxy-uracil6-azanyl-5-hydroxy-1H-pyrimidine-2,4-dione6-Amino-5-hydroxy-2,4(1H,3H)-pyrimidinedione
5,6-Dihydroxycytosine; 6-Amino-5-hydroxy-2,4(1H,3H)-pyrimidinedione; 6-Aminoisobarbituric Acid;RHK5WK6LJN6-amino-5-hydroxyuracilSCHEMBL2236804SCHEMBL3167524SCHEMBL3167526SCHEMBL4294778SCHEMBL11069007
Database identifiers
- CAS
3914-34-9- PubChem CID
- 77518
- DTXSID
DTXSID90192387- UNII
- RHK5WK6LJN
- EC Number
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 200 °C · > 200°C (dec)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- color
- Pink
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesIsouramil is an aglycon of vicine and convicine, and a causative agent of favism.
Suppliers7 total
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Wuxi Rejoys chemical Technology Co., Ltd.0510-86103381 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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