Basic information
- CAS
480-82-0- Standard SMILES
CC(C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)[C@H](C)O- InChIKey
SFVVQRJOGUKCEG-XTWPYSKKSA-N- Molecular formula
- C15H25NO5
- Average molar mass
- 299.36 g/mol
- Monoisotopic mass
- 299.1732729
Overview
Indicine is a carboxylic ester and a member of pyrrolizines.
Names & identifiers
- Preferred name
- Indicine
- IUPAC
- [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
- English name
- Indicin
- Molecular formula
- C15H25NO5
- Molecular weight
- 299.36
Names & synonyms
INDICINE480-82-0T82SFG1584NSC-136052CHEBI:5897DTXSID601973892,3-Dihydroxy-2-(1-methylethyl)-butanoic acid (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl) methyl ester[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3S)-2,3-dihydroxy-2-(propan-2-yl)butanoate((1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl (2R,3S)-2,3-dihydroxy-2-(propan-2-yl)butanoateindicine pyrrolizidineRefChem:923390DTXCID20119880
Show more names
Calogenin-3-O-β-D-digitoxopyranoside(14β,20S)-3β-[(2,6-Dideoxy-β-D-allopyranosyl)oxy]pregn-5-ene-14,20-diol[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoateButanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2R,3S)-(2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butyric acid [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Melting point
- 40 · 40-45°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Ethanol ()Slightly, Methanol (Slightly)
- form
- Solid
- color
- White
- FDA UNII
- 82 SFG1584 · T82SFG1584
Chemistry & industry
Applications
UsesIndicine is the major pyrrolizidine alkaloid of Heliotropium indicum, one of the most widely used herbs in India. Indicine is a potentially hepatoxic agent and is also used to determine the amount of urinary pregnanediol as a method of ovulation detection in humans.
Suppliers11 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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