Introduction:Basic information about CAS 76822-34-9|Anisodine Hydromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Anisodine Hydromide |
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| CAS Number | 76822-34-9 | Molecular Weight | 400.264 |
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| Density | / | Boiling Point | 495ºC at 760 mmHg |
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| Molecular Formula | C17H22BrNO5 | Melting Point | / |
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| MSDS | / | Flash Point | 253.2ºC |
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Names
| Name | Anisodine hydrobromide |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Boiling Point | 495ºC at 760 mmHg |
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| Molecular Formula | C17H22BrNO5 |
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| Molecular Weight | 400.264 |
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| Flash Point | 253.2ºC |
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| Exact Mass | 399.068115 |
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| PSA | 82.53000 |
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| LogP | 0.91810 |
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| InChIKey | GJPDCORRBGIJOP-UHFFFAOYSA-N |
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| SMILES | Br.CN1C2CC(OC(=O)C(O)(CO)c3ccccc3)CC1C1OC12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CY1633382
- CHEMICAL NAME :
- Benzeneacetic acid, alpha-hydroxy-alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo (3.3.1.0(sup 2,4))non-7-yl ester, hydrobromide, (7(S)-(1-alpha,2-beta,4-beta,5-alpha,7-beta))-
- CAS REGISTRY NUMBER :
- 76822-34-9
- LAST UPDATED :
- 199501
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H21-N-O5.Br-H
- MOLECULAR WEIGHT :
- 400.31
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 595 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CHHTAT Zhonghua Yixue Zazhi. Chinese Medical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1915- Suspended 1967-72. Volume(issue)/page/year: 55,795,1975
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Safety Information
| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S26-S36 |
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| RIDADR | UN 1544 |
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| WGK Germany | 3 |
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| RTECS | CY1633382 |
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Synonyms
| anisodinehydrobromide |
| Benzeneacetic acid, α-hydroxy-α-(hydroxymethyl)-, (1R,2S,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0]non-7-yl ester, hydrobromide (1:1) |
| (1R,2S,4S,5S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0]non-7-yl 2,3-dihydroxy-2-phenylpropanoate hydrobromide (1:1) |