Mebolazine

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Systematic / IUPAC Name: (2α,3Z,5α,17β,2'α,3'Z,5'α,17'β)-3,3'-[(1Z,2Z)-1,2-Hydrazinediylidene]bis(2,17-dimethylandrostan-17-ol)

ID: Reference6325

Other Names: 17β-Hydroxy-2α,17-dimethyl-5α-androstan-3-one azine;
Dimethazine

Formula: C42H68N2O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

Mebolazine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/22/2017 8:20:53 AM
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Identificators

InChI InChI=1S/C42H68N2O2/c1-25-23-37(3)27(9-11-29-31(37)13-17-39(5)33(29)15-19-41(39,7)45)21-35(25)43-44-36-22-28-10-12-30-32(38(28,4)24-26(36)2)14-18-40(6)34(30)16-20-42(40,8)46/h25-34,45-46H,9-24H2,1-8H3/b43-35-,44-36-/t25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,37+,38+,39+,40+,41+,42+/m1/s1
InChI Key POPWFGNRCCUJGU-QQZDHCPGSA-N
Canonical SMILES CC1CC2(C(CCC3C2CCC4(C3CCC4(C)O)C)CC1=NN=C5CC6CCC7C8CCC(C8(CCC7C6(CC5C)C)C)(C)O)C
CAS 3625078
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Other Names 17β-Hydroxy-2α,17-dimethyl-5α-androstan-3-one azine;
Dimethazine

In Other Databases

PubChem 20055475
ChemSpider 16736946
Wikipedia Mebolazine