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Substance Name: LHRH, lysine(6)-glutaryl-2-(hydroxymethyl)anthraquinone
RN: 139570-70-0
InChIKey: BSKOWQLQBJGVOI-ZCPJTSLXSA-N

Note

  • Cytotoxic LHRH agonist; less toxic than G-HMAQ by itself.

Molecular Formula

  • C79-H98-N18-O18

Molecular Weight

  • 1587.7512
 
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Names and Synonyms

Name of Substance

  • LHRH, lysine(6)-glutaryl-2-(hydroxymethyl)anthraquinone

Synonyms

  • LHRH, lysine(6)-glutaryl-2-(hydroxymethyl)anthraquinone
  • Lys(6)LHRH-glutaryl-2-(hydroxymethyl)anthraquinone
  • T-98

Systematic Name

  • Luteinizing hormone-releasing factor (pig), 6-(N6-(5-((9,10-dihydro-9,10-dioxo-2-anthracenyl)methoxy)-1,5-dioxopentyl)-D-lysine)-

Registry Numbers

CAS Registry Number

  • 139570-70-0

System Generated Number

  • 0139570700

Structure Descriptors

InChI

1S/C79H98N18O18/c1-43(2)32-58(72(108)91-57(17-10-30-85-79(81)82)78(114)97-31-11-18-63(97)77(113)87-39-64(80)100)92-70(106)55(16-7-8-29-84-65(101)19-9-20-67(103)115-41-45-23-26-52-53(33-45)69(105)51-14-4-3-13-50(51)68(52)104)90-73(109)59(34-44-21-24-48(99)25-22-44)93-76(112)62(40-98)96-74(110)60(35-46-37-86-54-15-6-5-12-49(46)54)94-75(111)61(36-47-38-83-42-88-47)95-71(107)56-27-28-66(102)89-56/h3-6,12-15,21-26,33,37-38,42-43,55-63,86,98-99H,7-11,16-20,27-32,34-36,39-41H2,1-2H3,(H2,80,100)(H,83,88)(H,84,101)(H,87,113)(H,89,102)(H,90,109)(H,91,108)(H,92,106)(H,93,112)(H,94,111)(H,95,107)(H,96,110)(H4,81,82,85)/t55-,56+,57+,58+,59+,60+,61+,62+,63+/m1/s1

InChIKey

BSKOWQLQBJGVOI-ZCPJTSLXSA-N

Smiles

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CCCCNC(=O)CCCC(=O)OCc2ccc3c(c2)C(=O)c4ccccc4C3=O)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@H](Cc8cnc[nH]8)NC(=O)[C@@H]9CCC(=O)N9