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Etelcalcetide hydrochloride

CAT: 0013-GTR19156907-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156907-01Size:200 mg
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Description
Etelcalcetide hydrochloride is a synthetic peptide as an allosteric modulator of the calcium (Ca) -sensing receptor (CaSR) . Etelcalcetide hydrochloride is effective in lowering parathyroid hormone (PTH) concentrations in patients receiving dialysis with secondary hyperparathyroidism receiving hemodialysis.
CAS Number
1334237-71-6
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Molecular Formula
C38H73N21O10S2.17/2HCl
Molecular Weight
1353.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Etelcalcetide Hydrochloride

a calcium-sensing receptor agonist

CAS Number1334237-71-6
PubChem CID71515466
IUPAC Name(2R)-3-[[(2S)-2-acetamido-3-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]disulfanyl]-2-aminopropanoic acid;hydrochloride
Molecular FormulaC38H74ClN21O10S2
Molecular Weight1084.7
Topological Polar Surface Area618
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count17
Rotatable Bond Count36
Heavy Atom Count72
Formal Charge0
Complexity1910
SMILES
C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C.Cl
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
InChIKey
KHQMSZGKHGQUHG-WZDHWKSBSA-N
Chemical Structure
2D Structure
2D structure of Etelcalcetide Hydrochloride
CAS: 1334237-71-6
CID: 71515466
Formula: C38H74ClN21O10S2
MW: 1084.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1084.7
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count17
Rotatable Bond Count36
Exact Mass1083.5057477
Monoisotopic Mass1083.5057477
Topological Polar Surface Area618 Ų
Heavy Atom Count72
Formal Charge0
Complexity1910
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes