cetrorelix

cetrorelix

formula | C_72H_96ClN_17O_16 Hill formula | C_72ClH_96N_17O_16 name | cetrorelix IUPAC name | 1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide mass fractions | C (carbon) 58% | Cl (chlorine) 2.38% | H (hydrogen) 6.49% | N (nitrogen) 16% | O (oxygen) 17.2%

Structure diagram

molar mass | 1491.1 g/mol phase | solid (at STP)

approval status | approved | biotech | investigational drug categories | hormone antagonist | infertility agent dosage forms | subcutaneous: powder, for solution | subcutaneous: powder, for solution | subcutaneous: powder, for solution

brand names | cetrotide

CAS number | 120287-85-6 PubChem CID number | 16129715 PubChem SID number | 7848748 SMILES identifier | CC(O)=O.CC(C)CC(NC(=O)C(CCCNC(N)=O)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CC=CN=C1)NC(=O)C(CC1=CC=C(Cl)C=C1)NC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(C)C(N)=O InChI identifier | InChI=1/C70H92ClN17O14.C2H4O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44;1-2(3)4/h5-7, 11-13, 17-27, 32, 37, 39-40, 50-58, 89, 91H, 8-10, 14-16, 28-31, 33-36, 38H2, 1-4H3, (H2, 72, 92)(H, 79, 100)(H, 80, 90)(H, 81, 96)(H, 82, 94)(H, 83, 93)(H, 84, 95)(H, 85, 97)(H, 86, 99)(H, 87, 98)(H4, 73, 74, 77)(H3, 75, 78, 102);1H3, (H, 3, 4)/t40-, 50-, 51+, 52+, 53-, 54+, 55-, 56-, 57+, 58+;/m1./s1/f/h73, 77-87H, 72, 74-75H2;3H InChI key | KFEFLCOCAHJBEA-VSMDNYHMDI