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Product Code

TRC-P835215

CAS Number

478815-25-7

Product Format

Neat

Molecular Formula

C20 H26 N2 O2 S

Molecular Weight

358.498

Product Categories

TRC

Price and availability

48-hour USA dispatch time
Freight restricted.

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Product Information

Chemical Data

Analyte Name

2-((((8beta)-6-Propylergolin-8-yl)methyl)thio)acetic Acid

CAS Number

478815-25-7

Molecular Formula

C20 H26 N2 O2 S

Molecular Weight

358.498

Accurate Mass

358.171

SMILES

CCCN1C[C@H](CSCC(=O)O)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34

InChI

InChI=1S/C20H26N2O2S/c1-2-6-22-10-13(11-25-12-19(23)24)7-16-15-4-3-5-17-20(15)14(9-21-17)8-18(16)22/h3-5,9,13,16,18,21H,2,6-8,10-12H2,1H3,(H,23,24)/t13-,16-,18-/m1/s1

IUPAC

2-[[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methylsulfanyl]acetic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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