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Substance Name: Endothelin-1
RN: 123626-67-5
InChIKey: ZUBDGKVDJUIMQQ-ZTNLKOGPSA-N

Molecular Formula

  • Unspecified

Molecular Weight

  • 2491.9281
 
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Names and Synonyms

Synonyms

  • Endothelin I
  • Endothelin-1
  • ET-1

Systematic Name

  • Endothelin-1

Registry Numbers

CAS Registry Number

  • 123626-67-5

Other Registry Number

  • 124861-00-3

System Generated Number

  • 0123626675

Structure Descriptors

InChI

1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1

InChIKey

ZUBDGKVDJUIMQQ-ZTNLKOGPSA-N

Smiles

N([C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC1)CO)CSSC2)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)[C@@H](C)C)Cc1ccc(cc1)O)Cc1ccccc1)Cc1[nH]cnc1)CC(C)C)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intravenous 10ug/kg (0.01mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Toxicologist. Vol. 42, Pg. 250, 1998.