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Substance Name: Atriopeptin III (rat) hydrochloride
RN: 130835-58-4
UNII: Y294NG8X7S
InChIKey: MSWLVSDENDDIFL-HENDGFOQSA-N

Molecular Formula

  • C107-H165-N35-O34-S2.Cl-H

Molecular Weight

  • 2586.2844
 
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Names and Synonyms

Results Name

  • Atriopeptin III (rat) hydrochloride

Name of Substance

  • Atriopeptin III hydrochloride

Synonyms

  • Apiii hydrochloride
  • Atriopeptin III (rat) hydrochloride
  • Atriopeptin-24 (rat) hydrochloride
  • Rat ANP-(103-126) hydrochloride
  • Rat atriopeptin III hydrochloride
  • UNII-Y294NG8X7S

Systematic Name

  • Atriopeptin-21(rat),21a-L-phenylalanine-21b-L-arginine-21c-L-tyrosine-, hydrochloride

Registry Numbers

CAS Registry Number

  • 130835-58-4

FDA UNII

  • Y294NG8X7S

System Generated Number

  • 0130835584

Molecular Formulas

Molecular Formula

  • C107-H165-N35-O34-S2.Cl-H

Molecular Formula Fragments

  • C107-H165-N35-O34-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C107H165N35O34S2.ClH/c1-8-53(5)84-102(173)124-43-79(151)125-55(7)86(157)129-64(30-31-76(109)148)92(163)138-71(47-144)90(161)123-44-81(153)127-65(35-52(3)4)88(159)122-45-82(154)128-74(100(171)134-68(39-77(110)149)96(167)139-73(49-146)98(169)133-67(37-57-21-14-11-15-22-57)95(166)130-62(24-17-33-118-106(113)114)91(162)136-70(104(175)176)38-58-26-28-59(147)29-27-58)50-177-178-51-75(140-99(170)72(48-145)137-87(158)60(108)46-143)101(172)132-66(36-56-19-12-10-13-20-56)89(160)121-41-78(150)120-42-80(152)126-61(23-16-32-117-105(111)112)93(164)142-85(54(6)9-2)103(174)135-69(40-83(155)156)97(168)131-63(94(165)141-84)25-18-34-119-107(115)116;/h10-15,19-22,26-29,52-55,60-75,84-85,143-147H,8-9,16-18,23-25,30-51,108H2,1-7H3,(H2,109,148)(H2,110,149)(H,120,150)(H,121,160)(H,122,159)(H,123,161)(H,124,173)(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,157)(H,130,166)(H,131,168)(H,132,172)(H,133,169)(H,134,171)(H,135,174)(H,136,162)(H,137,158)(H,138,163)(H,139,167)(H,140,170)(H,141,165)(H,142,164)(H,155,156)(H,175,176)(H4,111,112,117)(H4,113,114,118)(H4,115,116,119);1H/t53-,54-,55-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,84-,85-;/m0./s1

InChIKey

MSWLVSDENDDIFL-HENDGFOQSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)[C@@H](C)CC)CCCNC(=N)N)Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)O)CC(C)C)CO)CCC(=O)N)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD50 intravenous > 1mg/kg (1mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 717, 1992.
mouse LD50 intravenous > 100mg/kg (100mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 717, 1992.
rat LD50 intravenous > 10mg/kg (10mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 717, 1992.