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(2Z)-but-2-enedioic acid; (4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide

Compound number:
MolPort-003-958-638
CAS number: 129-49-7
IUPAC:
(2Z)-but-2-enedioic acid; (4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
IUPAC traditional:
maleic acid; methysergide
SMILES:
OC(=O)\C=C/C(O)=O.CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:31|
InChI key:
LWYXFDXUMVEZKS-ZVFOLQIPSA-N
Molecular formula: C25H31N3O6
Molecular weight: 469.538

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S&H to USA: 60.00 USD
S&H to World: 60.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >99%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
10 mg October 26, 2018 258.00 USD
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50 mg October 26, 2018 1019.10 USD
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S&H to USA: 77.00 USD
S&H to World: 154.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: > 99%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
10 mg November 2, 2018 111.26 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-958-638
CAS number: 129-49-7

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000053151228
MFCD00083185
methysergide hydrogen maleate
Methysergide maleate
Methysergide.Maleate

InChI
InChI: 1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1
InChI key: LWYXFDXUMVEZKS-ZVFOLQIPSA-N

Calculated Properties
Molecular formula: C25H31N3O6
Molecular weight: 469.538

Other

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2018 MolPort, v2.58, release date 17-10-2018 07:00 (+0200). All rights reserved.
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