(-)-Agroclavine
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(-)-Agroclavine
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CAS No:
548-42-5
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Formula:
C16H18N2
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Chemical Name:
(-)-Agroclavine
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Synonyms:
Ergoline,8,9-didehydro-6,8-dimethyl-;Agroclavine;Indolo[4,3-fg]quinoline,ergoline deriv.;8,9-Didehydro-6,8-dimethylergoline;Agroclavin;(-)-Agroclavine;NSC 93132
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CAS No:
Description
ChEBI: An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8.
Characteristics
19
3.00580
1.161g/cm3
198-203 °C (decomp)
422.5ºC at 760mmHg
209.3ºC
1.653
D20 -155° (c = 0.9 in chloroform); D20 -182° (c = 0.5 in pyridine)
Safety Information
20/21/22
36
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:238.33
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:238.146998583
Monoisotopic Mass:238.146998583
Topological Polar Surface Area:19
Heavy Atom Count:18
Complexity:375
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes