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Product Overview

Product Code

TRC-A244550

Product Format

Neat

Molecular Formula

C25 H40 N2 O4 . 2 H Cl

Molecular Weight

505.52

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

21-((4-Aminobutyl)amino)-cortisol Dihydrochloride

Molecular Formula

C25 H40 N2 O4 . 2 H Cl

Molecular Weight

505.52

Accurate Mass

504.25

SMILES

Cl.Cl.C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CNCCCCN)[C@@]4(C)C[C@H](O)[C@H]23

InChI

InChI=1S/C25H40N2O4.2ClH/c1-23-9-7-17(28)13-16(23)5-6-18-19-8-10-25(31,21(30)15-27-12-4-3-11-26)24(19,2)14-20(29)22(18)23;;/h13,18-20,22,27,29,31H,3-12,14-15,26H2,1-2H3;2*1H/t18-,19-,20-,22+,23-,24-,25-;;/m0../s1

IUPAC

(8S,9S,10R,11S,13S,14S,17R)-17-[2-(4-aminobutylamino)acetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;dihydrochloride

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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21-(4-Aminobutyl)amino)-cortisol Dihydrochloride

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