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Substance Name: Pyrrolidinomethyldoxycycline
RN: 27639-12-9
UNII: 3JY87D661P
InChIKey: WFDKDMCVVVTMSA-ZXQSLTRQSA-N

Molecular Weight

  • 527.5707
 
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Names and Synonyms

Name of Substance

  • Pyrrolidinomethyldoxycycline

Synonyms

  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-
  • UNII-3JY87D661P

Registry Numbers

CAS Registry Number

  • 27639-12-9

FDA UNII

  • 3JY87D661P

System Generated Number

  • 0027639129

Structure Descriptors

InChI

1S/C27H33N3O8/c1-12-13-7-6-8-14(31)16(13)21(32)17-15(12)22(33)19-20(29(2)3)23(34)18(25(36)27(19,38)24(17)35)26(37)28-11-30-9-4-5-10-30/h6-8,12,15,19-20,22,31,33-35,38H,4-5,9-11H2,1-3H3,(H,28,37)/t12-,15+,19+,20-,22-,27-/m0/s1

InChIKey

WFDKDMCVVVTMSA-ZXQSLTRQSA-N

Smiles

C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)NCN5CCCC5)O)N(C)C)O)O)O