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Substance Name: N,N,O,O-Tetrakis(tert-butyldimethylsilyl)methotrexate
RN: 109736-06-3
InChIKey: GCABLDMNTCWHGO-XIFFEERXSA-N

Molecular Weight

  • 911.495
 
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Names and Synonyms

Name of Substance

  • N,N,O,O-Tetrakis(tert-butyldimethylsilyl)methotrexate

Synonym

  • Silyl-methotrexate

Registry Numbers

CAS Registry Number

  • 109736-06-3

System Generated Number

  • 0109736063

Structure Descriptors

InChI

1S/C44H78N8O5Si4/c1-41(2,3)58(14,15)50-37-35-36(48-40(49-37)51-59(16,17)42(4,5)6)45-28-31(46-35)29-52(13)32-24-22-30(23-25-32)38(54)47-33(39(55)57-61(20,21)44(10,11)12)26-27-34(53)56-60(18,19)43(7,8)9/h22-25,28,33H,26-27,29H2,1-21H3,(H,47,54)(H2,45,48,49,50,51)/t33-/m0/s1

InChIKey

GCABLDMNTCWHGO-XIFFEERXSA-N

Smiles

C([C@@H](NC(c1ccc(cc1)N(C)Cc1nc2c(nc(nc2nc1)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)=O)CCC(=O)O[Si](C)(C)C(C)(C)C)(=O)O[Si](C)(C)C(C)(C)C