17659-49-3
Product Name:
Anisodamine
Formula:
C17H23NO4
Synonyms:
α-(Hydroxymethyl)-benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester;6β-Hydroxyhyoscyamine;6-Hydroxyhyoscyamine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 170.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated] |
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Kovats Retention Index | 2484.2 2332 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 305.4 g/mol |
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XLogP3 | 0.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 305.16270821 g/mol |
Monoisotopic Mass | 305.16270821 g/mol |
Topological Polar Surface Area | 70 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 396 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 5 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate is a natural product found in Hyoscyamus niger with data available.