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24730-10-7,MFCD00153792
Catalog No.:AA002P6K

24730-10-7 | Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α,10α)-, methanesulfonate (1:1)

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100mg
≥95%
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$173.00   $121.00
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Technical Information
Catalog Number:
AA002P6K
Chemical Name:
Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α,10α)-, methanesulfonate (1:1)
CAS Number:
24730-10-7
Molecular Formula:
C35H43N5O9S
Molecular Weight:
709.8090
MDL Number:
MFCD00153792
SMILES:
OS(=O)(=O)O.CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@@]1(O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O)C(C)C
Properties
Computed Properties
 
Complexity:
1300  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
7  
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
5  

Literature

Title: Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.

Journal: Bioorganic & medicinal chemistry 20121115

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Roles of adenosine and serotonin receptors on the antinociception of sildenafil in the spinal cord of rats.

Journal: Yonsei medical journal 20101101

Title: High-performance liquid chromatographic determination of dihydroergocristine in a pharmaceutical formulation with fluorescence detection.

Journal: Journal of AOAC International 20100101

Title: Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.

Journal: Nature chemical biology 20091001

Title: Identification and human pharmacokinetics of dihydroergotoxine metabolites in man: preliminary results.

Journal: Biopharmaceutics & drug disposition 20080101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Pharmacokinetics of dihydroergocristine and its major metabolite 8'-hydroxy-dihydroergocristine in human plasma.

Journal: Current drug metabolism 20051201

Title: Spinal gabapentin and antinociception: mechanisms of action.

Journal: Journal of Korean medical science 20030401

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Tags:24730-10-7 Molecular Formula|24730-10-7 MDL|24730-10-7 SMILES|24730-10-7 Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α,10α)-, methanesulfonate (1:1)