Introduction：Basic information about CAS 480-82-0|Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1R-(1a,7(2R*,3S*),7a-beta))- |
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| CAS Number | 480-82-0 | Molecular Weight | 299.36 |
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| Density | 1.26g/cm3 | Boiling Point | 463.3ºC at 760 mmHg |
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| Molecular Formula | C15H25NO5 | Melting Point | / |
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| MSDS | / | Flash Point | 234ºC |
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Names
| Name | indicine |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | Indicine (Compound 3) is an alkaloid. Indicine can reduce pyrrolizine alkaloids (PA) [1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Carpinelli de Jesus M, et al. Pyrrolizidine Alkaloids of Blue Heliotrope (Heliotropium amplexicaule) and Their Presence in Australian Honey. J Agric Food Chem. 2019 Jul 17;67(28):7995-8006. |
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Chemical & Physical Properties
| Density | 1.26g/cm3 |
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| Boiling Point | 463.3ºC at 760 mmHg |
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| Molecular Formula | C15H25NO5 |
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| Molecular Weight | 299.36 |
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| Flash Point | 234ºC |
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| Exact Mass | 299.17300 |
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| PSA | 90.23000 |
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| Vapour Pressure | 1.57E-10mmHg at 25°C |
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| Index of Refraction | 1.567 |
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| InChIKey | SFVVQRJOGUKCEG-XTWPYSKKSA-N |
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| SMILES | CC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EK7789900
- CHEMICAL NAME :
- Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)met hyl ester, (1R-(1a,7(2R*,3S*),7a-beta))-
- CAS REGISTRY NUMBER :
- 480-82-0
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C15-H25-N-O5
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 gm/kg/4W-I
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), zonal Blood - macrocytosis Related to Chronic Data - death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 101,271,1989
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1350 mg/kg/9D-I
- TOXIC EFFECTS :
- Blood - macrocytosis Related to Chronic Data - death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 101,271,1989
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Synonyms
| [(1r,7ar)-1-hydroxy-2,3,5,7a-tetrahydro-1h-pyrrolizin-7-yl]methyl(2r,3s)-2,3-dihydroxy-2-isopropylbutanoate |
| 2,3-Dihydroxy-2-(1-methylethyl)-butanoic acid (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl) methyl ester |
| lycopsamine |
| INDICINE |
| [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate |
