Trade Names: | |
Synonyms: | |
Status: | Approved (1948) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | MRU5XH3B48 |
Parent Compound: | ERGOTAMINE |
InChI Key | CJMJLDQKTOJACI-SEUSHGJOSA-N |
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Smile | |
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C70H76N10O16 | |
Molecular Weight | 1313.43 | |
AlogP | 1.99 | |
Hydrogen Bond Acceptor | 6.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 4.0 | |
Polar Surface Area | 118.21 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 43.0 |
Resources | Reference |
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ChEMBL | CHEMBL2448612 |
FDA SRS | MRU5XH3B48 |
PubChem | 9787 |
SureChEMBL | SCHEMBL12481537 |