Etelcalcetide hydrochlorideProduct ingredient for Etelcalcetide
- Name
- Etelcalcetide hydrochloride
- Drug Entry
- Etelcalcetide
Etelcalcetide is a calcimimetic drug for the treatment of secondary hyperparathyroidism in patients undergoing hemodialysis. Etelcalcetide was approved (trade name Parsabiv) for the treatment of secondary hyperparathyroidism (HPT) in adult patients with chronic kidney disease (CKD) on hemodialysis in February, 2017.
- Accession Number
- DBSALT002195
- Structure
Structure for Etelcalcetide hydrochloride (DBSALT002195)
- Synonyms
- Etelcalcetide HCl / Telcalcetide hydrochloride / Velcalcetide hydrochloride
- External IDs
- AMG 416
- UNII
- 72PT5993DU
- CAS Number
- 1334237-71-6
- Weight
- Average: 1084.72
Monoisotopic: 1083.5057477 - Chemical Formula
- C38H74ClN21O10S2
- InChI Key
- KHQMSZGKHGQUHG-WZDHWKSBSA-N
- InChI
- InChI=1S/C38H73N21O10S2.ClH/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69;/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52);1H/t18-,19-,21+,22-,23-,24-,25-,26-;/m1./s1
- IUPAC Name
- (2R)-2-amino-3-{[(2S)-2-{[(1R)-1-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-{[(1R)-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}ethyl]carbamoyl}-2-acetamidoethyl]disulfanyl}propanoic acid hydrochloride
- SMILES
- Cl.C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@H](N)C(O)=O)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O
- External Links
- ChemSpider
- 32698192
- ChEMBL
- CHEMBL3545183
- Predicted Properties
Property Value Source Water Solubility 0.132 mg/mL ALOGPS logP -3.4 ALOGPS logP -11 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) -1.3 Chemaxon pKa (Strongest Basic) 12.57 Chemaxon Physiological Charge 4 Chemaxon Hydrogen Acceptor Count 23 Chemaxon Hydrogen Donor Count 22 Chemaxon Polar Surface Area 557.71 Å2 Chemaxon Rotatable Bond Count 36 Chemaxon Refractivity 303.63 m3·mol-1 Chemaxon Polarizability 108.23 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon