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Product Information

Chemical Data

Analyte Name

4-Amino-2,5-dihydro-2-thioxo-1H-1,5-benzodiazepine-3-carboxylic Acid Ethyl Ester

CAS Number

52046-77-2

Molecular Formula

C25 H40 O9

Molecular Weight

484.58

Accurate Mass

484.267

SMILES

COCOc1c(OC)cc(OC)c2C(=O)C(C)C(CC[C@H](C)[C@H](OC)[C@H](C)[C@H](CO)OC)Oc12

InChI

InChI=1S/C25H40O9/c1-14(23(32-8)16(3)20(12-26)31-7)9-10-17-15(2)22(27)21-18(29-5)11-19(30-6)24(25(21)34-17)33-13-28-4/h11,14-17,20,23,26H,9-10,12-13H2,1-8H3/t14-,15?,16+,17?,20-,23-/m0/s1

IUPAC

2-[(3S,4S,5S,6R)-7-hydroxy-4,6-dimethoxy-3,5-dimethylheptyl]-5,7-dimethoxy-8-(methoxymethoxy)-3-methyl-2,3-dihydrochromen-4-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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