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Substance Name: Ozarelix acetate
RN: 896710-46-6
UNII: 05D1DCL744
InChIKey: WMTZITCJULQSAS-FDIISDFSSA-N

Molecular Weight

  • 1519.16
 
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Names and Synonyms

Name of Substance

  • Ozarelix acetate

Synonyms

  • Ac-D-nal(2)-D-pcl-D-pal-ser-N-me-tyr-D-homocit-nle-arg-pro-D-ala-NH2 acetate
  • D-63153 acetate
  • Ozarelix acetate
  • UNII-05D1DCL744

Registry Numbers

CAS Registry Number

  • 896710-46-6

FDA UNII

  • 05D1DCL744

System Generated Number

  • 0896710466

Structure Descriptors

InChI

1S/C72H96ClN17O14.C2H4O2/c1-5-6-17-52(63(96)85-54(19-12-33-79-71(75)76)70(103)90-34-13-20-59(90)67(100)81-42(2)61(74)94)83-62(95)53(18-9-10-32-80-72(77)104)84-68(101)60(39-45-24-29-51(93)30-25-45)89(4)69(102)58(41-91)88-66(99)57(38-47-14-11-31-78-40-47)87-65(98)56(36-44-22-27-50(73)28-23-44)86-64(97)55(82-43(3)92)37-46-21-26-48-15-7-8-16-49(48)35-46;1-2(3)4/h7-8,11,14-16,21-31,35,40,42,52-60,91,93H,5-6,9-10,12-13,17-20,32-34,36-39,41H2,1-4H3,(H2,74,94)(H,81,100)(H,82,92)(H,83,95)(H,84,101)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H4,75,76,79)(H3,77,80,104);1H3,(H,3,4)/t42-,52+,53-,54+,55-,56-,57-,58+,59+,60+;/m1./s1

InChIKey

WMTZITCJULQSAS-FDIISDFSSA-N

Smiles

CCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CCCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C.CC(=O)O