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Substance Name: Teverelix trifluoroacetate
RN: 244792-29-8
UNII: J5OUL9SHW5
InChIKey: XCOCXBFSPCRONC-SAECRDNQSA-N

Molecular Formula

  • C74-H100-Cl-N15-O14.2C2-H-F3-O2

Molecular Weight

  • 1687.1776
 
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Names and Synonyms

Name of Substance

  • Teverelix trifluoroacetate

Synonyms

  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N6-(aminocarbonyl)-D-lysyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-, bis(trifluoroacetate) (salt)
  • Teverelix trifluoroacetate
  • UNII-J5OUL9SHW5

Registry Numbers

CAS Registry Number

  • 244792-29-8

FDA UNII

  • J5OUL9SHW5

System Generated Number

  • 0244792298

Structure Descriptors

InChI

1S/C74H100ClN15O14.2C2HF3O2/c1-43(2)35-57(66(96)84-56(19-10-11-32-79-44(3)4)73(103)90-34-14-20-63(90)72(102)81-45(5)64(76)94)85-65(95)55(18-9-12-33-80-74(77)104)83-68(98)59(38-48-24-29-54(93)30-25-48)88-71(101)62(42-91)89-70(100)61(40-50-15-13-31-78-41-50)87-69(99)60(37-47-22-27-53(75)28-23-47)86-67(97)58(82-46(6)92)39-49-21-26-51-16-7-8-17-52(51)36-49;2*3-2(4,5)1(6)7/h7-8,13,15-17,21-31,36,41,43-45,55-63,79,91,93H,9-12,14,18-20,32-35,37-40,42H2,1-6H3,(H2,76,94)(H,81,102)(H,82,92)(H,83,98)(H,84,96)(H,85,95)(H,86,97)(H,87,99)(H,88,101)(H,89,100)(H3,77,80,104);2*(H,6,7)/t45-,55-,56+,57+,58-,59+,60-,61-,62+,63+;;/m1../s1

InChIKey

XCOCXBFSPCRONC-SAECRDNQSA-N

Smiles

CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H](Cc4ccc5ccccc5c4)NC(=O)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(=O)N.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F