118-08-1
Product Name:
(-)-BETA-HYDRASTINE
Formula:
C21H21NO6
Synonyms:
(1R,9S)-(−)-β-Hydrastine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 186.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 383.4 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 383.13688739 g/mol |
| Monoisotopic Mass | 383.13688739 g/mol |
| Topological Polar Surface Area | 66.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 601 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Hydrastine is a member of isoquinolines. It has a role as a metabolite.