Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Zoptarelin doxorubicin acetate [USAN]
RN: 1928750-34-8
UNII: 4IA03SIO30
InChIKey: KNFBFAYGLUSKNV-GOXRTRPTSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C91-H117-N19-O26.xC2-H4-O2

Molecular Weight

  • 1953.0839
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Zoptarelin doxorubicin acetate [USAN]

Synonyms

  • (6-D-Lysine)human gonadoliberin-1 (LHRH) and doxorubicin covalently linked together with glutaric acid: 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-N6-(5-(2-((2S,4S)-4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)-2-oxoethoxy)-5-oxopentanoyl)-D-lysine-L-leucyl-L-arginyl-L-prolylglycinamide acetate
  • AEZS-108
  • AN-152
  • D-81858
  • UNII-4IA03SIO30
  • ZEN-008
  • Zoptarelin doxorubicin acetate

Systematic Name

  • Luteinizing hormone-releasing factor (swine), 6-(N6-(5-(2-((2S,4S)-4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethoxy)-1,5-dioxopentyl)-D-lysine)-, acetate(1:?)

Registry Numbers

CAS Registry Number

  • 1928750-34-8

FDA UNII

  • 4IA03SIO30

System Generated Number

  • 1928750348

Structure Descriptors

InChI

1S/C91H117N19O26.C2H4O2/c1-44(2)31-58(83(125)104-57(17-11-29-98-90(94)95)89(131)110-30-12-18-63(110)88(130)100-40-67(93)114)105-81(123)55(16-7-8-28-97-68(115)20-10-21-70(117)134-42-66(113)91(132)36-52-73(65(37-91)136-71-35-53(92)76(118)45(3)135-71)80(122)75-74(78(52)120)77(119)51-14-9-19-64(133-4)72(51)79(75)121)103-84(126)59(32-46-22-24-49(112)25-23-46)106-87(129)62(41-111)109-85(127)60(33-47-38-99-54-15-6-5-13-50(47)54)107-86(128)61(34-48-39-96-43-101-48)108-82(124)56-26-27-69(116)102-56;1-2(3)4/h5-6,9,13-15,19,22-25,38-39,43-45,53,55-63,65,71,76,99,111-112,118,120,122,132H,7-8,10-12,16-18,20-21,26-37,40-42,92H2,1-4H3,(H2,93,114)(H,96,101)(H,97,115)(H,100,130)(H,102,116)(H,103,126)(H,104,125)(H,105,123)(H,106,129)(H,107,128)(H,108,124)(H,109,127)(H4,94,95,98);1H3,(H,3,4)/t45-,53-,55+,56-,57-,58-,59-,60-,61-,62-,63-,65-,71-,76+,91-;/m0./s1

InChIKey

KNFBFAYGLUSKNV-GOXRTRPTSA-N

Smiles

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)COC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc6ccc(O)cc6)NC(=O)[C@H](CO)NC(=O)[C@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](Cc9cnc[nH]9)NC(=O)[C@@H]%10CCC(=O)N%10)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N%11CCC[C@H]%11C(=O)NCC(=O)N.CC(=O)O