3-[Benzoyl(methyl)amino]-20-(dimethylamino)pregnan-4-yl acetate (Pachysandrine A) (CHEM114442)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:48:18 UTC | ||||||||
| Update Date | 2026-05-21 01:22:39 UTC | ||||||||
| Accession Number | CHEM114442 | ||||||||
| Identification | |||||||||
| Common Name | 3-[Benzoyl(methyl)amino]-20-(dimethylamino)pregnan-4-yl acetate (Pachysandrine A) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H50N2O3 | ||||||||
| Average Molecular Mass | 522.774 g/mol | ||||||||
| Monoisotopic Mass | 522.382 g/mol | ||||||||
| CAS Registry Number | 6879-28-3 | ||||||||
| IUPAC Name | (8xi,9xi,14xi,17S,20S)-3-[Benzoyl(methyl)amino]-20-(dimethylamino)-5alpha-pregnan-4beta-yl acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H]C(C)(N(C)C)[C@@]1([H])CCC2([H])C3([H])CC[C@@]4([H])[C@@]([H])(OC(C)=O)C([H])(CC[C@]4(C)C3([H])CC[C@]12C)N(C)C(=O)C1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C33H50N2O3/c1-21(34(5)6)25-15-16-26-24-13-14-28-30(38-22(2)36)29(35(7)31(37)23-11-9-8-10-12-23)18-20-33(28,4)27(24)17-19-32(25,26)3/h8-12,21,24-30H,13-20H2,1-7H3/t21?,24?,25-,26?,27?,28+,29?,30-,32-,33-/m1/s1 | ||||||||
| InChI Key | ZQUSGHWWSCAMAR-BIVHXRCOSA-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 | ||||||||
| Spectra | |||||||||
| 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 | ||||||||
