50-55-5
Product Name:
Reserpine
Formula:
C33H40N2O9
Synonyms:
(3β, 16β, 17α, 18β, 20α)-11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester;Reserpine;Reserpine - CAS 50-55-5 - Calbiochem;VMAT2 Inhibitor, Reserpine, Vesicular monoamine transporter (VMAT) Antagonist, Reserpine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Reserpine appears as white or cream to slightly yellow crystals or crystalline powder. Odorless with a bitter taste. (NTP, 1992) |
|---|---|
| Color/Form | White or pale buff to slightly yellowish powder |
| Odor | Odorless |
| Melting Point | 507 to 509 °F (decomposes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| LogP | 3.2 |
| Stability/Shelf Life | UPON STANDING SOLN ACQUIRE YELLOW COLOR WITH PRONOUNCED FLUORESCENCE, ESP AFTER ACID ADDITION OR EXPOSURE /TO LIGHT/. |
| Optical Rotation | Specific optical rotation: -118 deg @ 23 °C/D (c= 1 in chloroform), -168 deg @ 26 °C/D (c= 0.624 in dimethylformamide), -164 deg @ 26 °C/D (c= 0.96 in pyridine); max absorption (chloroform): 216 nm, 267 nm, 295 nm (log e= 61,700; 17,000; 10,200) |
| Decomposition | MELTING POINT: 264-265 °C (DECOMP) |
| Ionization Efficiency | Positive |
| Dissociation Constants | 6.6 |
| Collision Cross Section | 247.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Darkens slowly upon exposure to light, but more rapidly in solution. |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H336:Specific target organ toxicity,single exposure; Narcotic effects H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 608.7 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 608.27338086 g/mol |
| Monoisotopic Mass | 608.27338086 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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
Reserpine appears as white or cream to slightly yellow crystals or crystalline powder. Odorless with a bitter taste. (NTP, 1992)