50-41-9
Product Name:
Clomiphene Citrate
Formula:
C32H36ClNO8
Synonyms:
2-(4-[2-Chloro-1,2-diphenylethenyl]phenoxy)-N,N-diethylethanamine;Clomiphene citrate salt
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 205.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 598.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Exact Mass | 597.2129448 g/mol |
| Monoisotopic Mass | 597.2129448 g/mol |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 708 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Zuclomiphene Citrate is the cis isomer of clomiphene which exhibits weak estrogen agonist activity evaluated for antineoplastic activity against breast cancer. (NCI04)