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Substance Name: 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide
RN: 96608-40-1
InChIKey: MONVLJKZTUMHGF-WOWALGLLSA-N

Molecular Formula

  • C38-H60-N2-O7

Molecular Weight

  • 656.899
 
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Names and Synonyms

Name of Substance

  • 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide

Synonym

  • TMPS

Systematic Name

  • Pregna-1,4-diene-3,20-dione, 21-((8-((2-(diethylamino)ethyl)ethylamino)-1,8-dioxooctyl)oxy)-11,17-dihydroxy-6-methyl-, (6alpha,11beta)-

Registry Numbers

CAS Registry Number

  • 96608-40-1

System Generated Number

  • 0096608401

Structure Descriptors

InChI

1S/C38H60N2O7/c1-7-39(8-2)20-21-40(9-3)33(44)14-12-10-11-13-15-34(45)47-25-32(43)38(46)19-17-29-28-22-26(4)30-23-27(41)16-18-36(30,5)35(28)31(42)24-37(29,38)6/h16,18,23,26,28-29,31,35,42,46H,7-15,17,19-22,24-25H2,1-6H3/t26-,28-,29-,31-,35+,36-,37-,38-/m0/s1

InChIKey

MONVLJKZTUMHGF-WOWALGLLSA-N

Smiles

C1=C[C@@]2([C@@H]3[C@H]([C@H]4[C@@](C[C@@H]3O)([C@@](CC4)(O)C(COC(CCCCCCC(=O)N(CCN(CC)CC)CC)=O)=O)C)C[C@@H](C2=CC1=O)C)C