Basic information
- CAS
154-85-8- Standard SMILES
O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Na+]- InChIKey
ZTHMWDSJKLNDTE-UHFFFAOYSA-M- Molecular formula
- C5H3N2NaO4
- Average molar mass
- 178.08 g/mol
- Monoisotopic mass
- 177.99905086
Overview
Sodium orotate is an organic sodium salt comprising equal numbers of sodium and orotate ions. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite and a human metabolite. It contains an orotate.
Names & identifiers
- Preferred name
- Sodium Orotate
- IUPAC
- sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate
- English name
- 6-Carboxy-2,4-dihydroxypyrimidine monosodium salt
- Molecular formula
- C5H5N2NaO4
- Molecular weight
- 180.09
Names & synonyms
Sodium orotate154-85-8Orotic acid, sodium saltOrotic acid, monosodium saltMonosodium orotate1K54797G2ZDTXSID1021083CHEBI:132101RefChem:184031DTXCID701083205-834-0sodium 2,6-dihydroxypyrimidine-4-carboxylate
Show more names
ate(1:1:1)OROTIC ACID, NA SALTsodiumorotatehydrateSodiumorotateanhydrousorotic acid monosodiummonosodiumorolatehydrateoroticacid,sodiumsalt,hydrate(1:1:1)URACIL-6-CARBOXYLIC ACID MONOSODIUM SALT
OROTIC ACID MONOSODIUM SALTsodium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylateOrotic acid sodium saltsodium;2,4-dioxo-1H-pyrimidine-6-carboxylate6-Carboxy-2,4-dihydroxypyrimidine monosodium salt6-Carboxy-2,4-dihydroxy- pyrimidineSodium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylateMonosodium orolate
Database identifiers
- CAS
154-85-8- PubChem CID
- 23683036
Properties
Computed structural properties
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyrimidines
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- LogP
- -0.928 · -0.928 (est)
- CAS DataBase Reference
- 154 · 154-85-8
- FDA UNII
- 1 K54797G2Z · 1K54797G2Z
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- RTECS
- 3201700 · RM3201700
- HS Code
- 29335990 · 29335990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS]
Safety data
- wgk
- 3
- rtecs
- RM3201700
- hs_code
- 29335990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesOrotic Acid Monosodium Salt is used in the formation of a complex with lanthanium(III) which displats cytotoxic activity on different tumor cell lines.Also, it is the unlabeled form of Orotic Acid-15N2 Monosodium Salt (O691517), which is an intermediate used in the synthesis of Orotic Acid-15N2 Monohydrate (O691504), which is a labeled analogue of Orotic Acid Monohydrade (O691500), which is used in the preparation of therapeutic agents for chronic obstructive pulmonary disease (COPD) treatment.
Upstream & downstream products
Upstream raw materials
Suppliers21 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
1 records
Compound notes
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