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Substance Name: Actinomycin D, N-(2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)-
RN: 70804-00-1
InChIKey: ROVXUEAXFMPDQB-UHFFFAOYSA-N

Molecular Formula

  • C71-H102-N13-O17

Molecular Weight

  • 1467.76
 
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Names and Synonyms

Synonym

  • N-(2,2,6,6-Tetramethyl-1-oxy-4-piperidinyl)actinomycin D

Systematic Name

  • Actinomycin D, N-(2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)-

Registry Numbers

CAS Registry Number

  • 70804-00-1

System Generated Number

  • 0070804001

Structure Descriptors

InChI

1S/C74H110N14O17/c1-36(2)51-69(98)86-30-21-24-46(86)67(96)82(17)34-48(89)84(19)58(38(5)6)71(100)103-42(11)53(65(94)78-51)80-63(92)45-27-26-40(9)61-55(45)77-57-50(56(60(91)41(10)62(57)105-61)76-29-23-28-75-44-32-73(13,14)88(102)74(15,16)33-44)64(93)81-54-43(12)104-72(101)59(39(7)8)85(20)49(90)35-83(18)68(97)47-25-22-31-87(47)70(99)52(37(3)4)79-66(54)95/h26-27,36-39,42-44,46-47,51-54,58-59,75-76,102H,21-25,28-35H2,1-20H3,(H,78,94)(H,79,95)(H,80,92)(H,81,93)

InChIKey

ROVXUEAXFMPDQB-UHFFFAOYSA-N

Smiles

C1(CC(C)(C)N(O)C(C)(C)C1)NCCCNc1c(c2nc3c(ccc(C)c3oc2c(c1=O)C)C(=O)N[C@@H]1C(=O)N[C@@H](C(N2[C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O)=O)CCC2)=O)C(C)C)C(N[C@@H]1C(N[C@@H](C(N2[C@@H](C(N(CC(N([C@@H](C(O[C@@H]1C)=O)C(C)C)C)=O)C)=O)CCC2)=O)C(C)C)=O)=O