Basic information
- CAS
5984-50-9- Standard SMILES
CNC(C)CCC=C(C)C.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
HLRDXBKIKFQOFS-LREBCSMRSA-N- Molecular formula
- C13H25NO6
- Average molar mass
- 291.34 g/mol
- Monoisotopic mass
- 291.16818752
Names & identifiers
- Preferred name
- 5-Hepten-2-amine, N,6-dimethyl-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
- IUPAC
- (2R,3R)-2,3-dihydroxybutanedioic acid;N,6-dimethylhept-5-en-2-amine
- English name
- [R-(R*,R*)]-methyl(1,5-dimethylhex-4-enyl)ammonium hydrogen tartrate
- Molecular formula
- C13H25NO6
- Molecular weight
- 291.3407
Names & synonyms
Isometheptene bitartrateOctin bitartrate5984-50-92-Methylamino-iso-octene bitartrateC4625WF7BM4-HEXENYLAMINE, N,1,5-TRIMETHYL-, TARTRATE (1:1)5-Hepten-2-amine, N,6-dimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)ISOMETHEPTENE ACID TARTRATERefChem:10729425-Hepten-2-Amine, N,6-Dimethyl-, (R-(R*,R*))-2,3-(R-(R*,R*))-Methyl(1,5-Dimethylhex-4-Enyl)Ammonium Hydrogen5-Hepten-2-amine, N,6-dimethyl-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Show more names
Octine tartrate2,3-dihydroxybutanedioic acid,N,6-dimethylhept-5-en-2-amineIsometheptene Tartrate (Dimethylheptene Methylamine Tartrate)
227-795-9Isometheptane Tartrate (Dimethylheptene Methylamine Tartrate)(2R,3R)-2,3-dihydroxybutanedioic acid;N,6-dimethylhept-5-en-2-amine(R-(R*,R*))-Methyl(1,5-dimethylhex-4-enyl)ammonium hydrogen tartrate[R-(R*,R*)]-methyl(1,5-dimethylhex-4-enyl)ammonium hydrogen tartrateEINECS 227-795-9UNII-C4625WF7BMISOMETHEPTENE TARTRATE
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- FDA UNII
- 4625 WF7BM · C4625WF7BM
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…