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Α-Ergocryptine

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α-Ergocryptine / CAS : 511-09-1

Appearance - UN 1544
HS 0 DG Class 6.1(b)
Synonyms 12'-Hydroxy-5'; Alpha-Ergocryptine; Ergotaman-3',6',18-Trione, 12'-Hydroxy-2'-(1-Methylethyl)-5'-(2-Methylpropyl)-, (5'-)-
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Properties

Summary

Formula
C32H41N5O5
Molecular Mass
575.69800
Exact Mass
575.31100
PSA
118.21000
Logp
2.63490
IUPAC
(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILES
CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
152-154ºC
Density
1.38g/cm3
Boiling Point
861.7ºC at 760mmHg
Flash Point
475ºC

Export information

HS Code
0
UN No.
1544
DG-Class
6.1(b)
Risk Code
R62
Safety Label
Xn

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