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Substance Name: Cerexin B
RN: 55467-34-0
InChIKey: ZDZVUYXFDHKIKT-BGTBYPPESA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C69-H107-N15-O17

Molecular Weight

  • 1418.6923
 
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Names and Synonyms

Synonym

  • GP-3

Systematic Name

  • Cerexin B

Registry Numbers

CAS Registry Number

  • 55467-34-0

Other Registry Number

  • 55599-73-0

System Generated Number

  • 0055467340

Structure Descriptors

InChI

1S/C69H107N15O17/c1-7-9-10-11-12-13-14-15-16-17-21-28-56(90)76-50(34-53(71)87)66(97)82-58(39(3)4)68(99)81-47(31-42-24-19-18-20-25-42)61(92)79-52(36-55(73)89)63(94)80-51(35-54(72)88)62(93)78-49(33-44(86)29-30-70)65(96)84-60(41(6)85)67(98)75-38-57(91)77-48(64(95)83-59(69(100)101)40(5)8-2)32-43-37-74-46-27-23-22-26-45(43)46/h18-20,22-27,37,39-41,44,47-52,58-60,74,85-86H,7-17,21,28-36,38,70H2,1-6H3,(H2,71,87)(H2,72,88)(H2,73,89)(H,75,98)(H,76,90)(H,77,91)(H,78,93)(H,79,92)(H,80,94)(H,81,99)(H,82,97)(H,83,95)(H,84,96)(H,100,101)/t40-,41+,44-,47+,48+,49-,50+,51+,52-,58+,59+,60+/m0/s1

InChIKey

ZDZVUYXFDHKIKT-BGTBYPPESA-N

Smiles

CCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N)C(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](C[C@H](CCN)O)C(=O)N[C@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H]([C@@H](C)CC)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 261, 1980.