Basic information
- CAS
3463-92-1- Standard SMILES
CC1NC2CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)OC1CC2)NC3C- InChIKey
AMSCMASJCYVAIF-UHFFFAOYSA-N- Molecular formula
- C28H50N2O4
- Average molar mass
- 478.7 g/mol
- Monoisotopic mass
- 478.37705808
Overview
carpaine has been reported in Carica and Carica papaya with data available.
Names & identifiers
- Preferred name
- 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.2~11,14~)triacontane-3,16-dione
- IUPAC
- 13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione
- English name
- carpaine
- Molecular formula
- C28H50N2O4
- Molecular weight
- 478.71
Names & synonyms
13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.2~11,14~)triacontane-3,16-dione13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.211,14)triacontane-3,16-dione13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dioneRefChem:236492SCHEMBL30546685PD14330612,25-Diaza-13,26-dimethyl-2,15-dioxatricyclo[22.2.2.2<11,14>]triacontane-3,16-dionecarpaine(1S,11R,13S,14S,24R,26S)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione2,15-Dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione,13,26-dimethyl-, (1S,11R,13S,14S,24R,26S)-
Database identifiers
- CAS
3463-92-1- PubChem CID
- 103019
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 561
Experimental & physicochemical properties
Melting Point119 - 120 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 119 · 119-120°
- alpha
- 12 · D12 +24.7° (c = 1.07 in ethanol)
- Boiling point
- 577.37 °C · 577.37°C (rough estimate)
- Density
- 1.0566 · 1.0566 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 10 mg/ml,DMF: · Chloroform: 10 mg/ml,DMF: 1,DMSO: 1 mg/ml,Ethanol: 10 mg/ml,Ethanol:PBS (pH 7.2) (1:4): 0.2 mg/ml
- pka
- 9 · 9+-.0.60(Predicted)
- FDA UNII
- 223 H4QP · VLR223H4QP
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers39 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉灵灵九生物科技有限公司15623309010 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
ChemeGen 中国18818260767 · [email protected]
陕西缔都医药化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…