Basic information
- CAS
22454-86-0- Standard SMILES
O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Ca+2]- InChIKey
SZKLQJZEAFLPDA-UHFFFAOYSA-L- Molecular formula
- C10H6CaN4O8
- Average molar mass
- 350.25 g/mol
- Monoisotopic mass
- 349.981154
Names & identifiers
- Preferred name
- Calcium orotate
- IUPAC
- calcium bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)
- English name
- CALCIUM OROTATE
- Molecular formula
- C5H6CaN2O4
- Molecular weight
- 198.19
Names & synonyms
Calcium orotate22454-86-0Caloracalcium diorotateOrotic acid calcium saltCalciumorotat (TN)OROTATE CALCIUMCalciumorotatUNII-990GJM86HY4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, calcium salt (2:1)990GJM86HYCALCIUM OROTATE DEHYDRATE
Show more names
calcium oratateCalcium orotic acidCalcium Orotate 10%CalciumorotatehadrateOrotic acid (calcium)CALCIUM OROTATE USP/EP/BPOroticacidcalciumsalthydrateCalciuM Orotate Dihydrate INN
EINECS 245-009-2DTXSID7066801CALCIUM OROTATE [WHO-DD]RefChem:122878DTXCID6036706245-009-2Calcium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, calcium salt(2:1)
Database identifiers
- CAS
22454-86-0- PubChem CID
- 89722
- DTXSID
DTXSID7066801- UNII
- 990GJM86HY
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 197 · 197-199°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Aqueous Base (Slightly), DMSO (Slightly)
- form
- Solid
- color
- White
- LogP
- -0.928 · -0.928 (est)
- FDA UNII
- 990 GJM86HY · 990GJM86HY
- EPA Substance Registry System
- 4 · 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, calcium salt (2:1) (22454-86-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-,calcium salt (2:1)
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, calcium salt (2:1): Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, calcium salt (2:1): INACTIVE
Applications
UsesCalcium Orotate Hydrate is a very highly absorbed calcium supplement.
Upstream & downstream products
Upstream raw materials
Suppliers87 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
湖北省文鑫生物科技有限公司+86-15387208865 +86-15387208865 · [email protected] [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…