5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione

Modify Date: 2025-09-10 17:46:58

5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione Structure
5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione structure
 Common Name 5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
CAS Number 19467-62-0 Molecular Weight 577.71400
Density 1.36g/cm3 Boiling Point 848.4ºC at 760mmHg
Molecular Formula C32H43N5O5 Melting Point N/A
MSDS N/A Flash Point 466.9ºC

 Names

Name β-dihydroergocryptine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 848.4ºC at 760mmHg
Molecular Formula C32H43N5O5
Molecular Weight 577.71400
Flash Point 466.9ºC
Exact Mass 577.32600
PSA 121.70000
LogP 3.17460
InChIKey SBFXHXZNBNFPHV-PSELOKDRSA-N
SMILES CCC(C)C1C(=O)N2CCCC2C2(O)OC(NC(=O)C3CC4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12

 Synonyms

5'-sec-butyl-12'-hydroxy-2'-isopropyl-9,10-dihydro-ergotamane-18,3',6'-trione
EINECS 243-089-3
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Chemsrc provides CAS#:19467-62-0 MSDS, density, melting point, boiling point, structure, etc. Its name is 5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione>> amp version: 5'α(S)-sec-butyl-9,10α-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione

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