20-(Dimethylamino)-3-[2-oxo-3-(propan-2-yl)azetidin-1-yl]pregnan-4-one (Pachystermine A) (CHEM114441)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:48:15 UTC | ||||||||
| Update Date | 2026-05-21 01:22:34 UTC | ||||||||
| Accession Number | CHEM114441 | ||||||||
| Identification | |||||||||
| Common Name | 20-(Dimethylamino)-3-[2-oxo-3-(propan-2-yl)azetidin-1-yl]pregnan-4-one (Pachystermine A) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H48N2O2 | ||||||||
| Average Molecular Mass | 456.715 g/mol | ||||||||
| Monoisotopic Mass | 456.372 g/mol | ||||||||
| CAS Registry Number | 6156-99-6 | ||||||||
| IUPAC Name | (17R)-20-(Dimethylamino)-3beta-[(3R)-2-oxo-3-(propan-2-yl)azetidin-1-yl]-5alpha-pregnan-4-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H]C(C)(N(C)C)[C@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C(=O)[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)N1C[C@@]([H])(C(C)C)C1=O | ||||||||
| InChI Identifier | InChI=1S/C29H48N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h17-25H,8-16H2,1-7H3/t18?,19-,20-,21-,22-,23-,24-,25-,28+,29+/m0/s1 | ||||||||
| InChI Key | MHFGHEARXPBTQH-PTKYFECBSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
