Hexarelin

CAT: 0024-sc-394429Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-394429Size:1 mg

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CAS Number

140703-51-1

Chemical Information

Examorelin

Examorelin is a small molecule drug. The usage of the INN stem '-relin' in the name indicates that Examorelin is a pituitary hormone-release stimulating peptide. Examorelin has a monoisotopic molecular weight of 886.46 Da.

CAS Number	140703-51-1
PubChem CID	6918297
IUPAC Name	(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
Molecular Formula	C47H58N12O6
Molecular Weight	887.0
XLogP	2.3
Topological Polar Surface Area	301
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	23
Heavy Atom Count	65
Formal Charge	0
Complexity	1600

SMILES

CC1=C(C2=CC=CC=C2N1)C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C47H58N12O6/c1-27-34(33-15-7-9-17-37(33)54-27)23-41(58-44(62)35(49)22-31-25-51-26-53-31)45(63)55-28(2)43(61)57-40(21-30-24-52-36-16-8-6-14-32(30)36)47(65)59-39(20-29-12-4-3-5-13-29)46(64)56-38(42(50)60)18-10-11-19-48/h3-9,12-17,24-26,28,35,38-41,52,54H,10-11,18-23,48-49H2,1-2H3,(H2,50,60)(H,51,53)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,59,65)/t28-,35-,38-,39+,40-,41+/m0/s1

InChIKey

RVWNMGKSNGWLOL-GIIHNPQRSA-N

Chemical Structure

2D Structure

CAS: 140703-51-1

CID: 6918297

Formula: C47H58N12O6

MW: 887.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	887.0
XLogP3	2.3
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	23
Exact Mass	886.46022762
Monoisotopic Mass	886.46022762
Topological Polar Surface Area	301 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1600
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
PT_73722-01	Hexarelin (Hexarelin)
OPPA01052-20MG	Hexarelin - Hexarelin Protein
32-2042-100	Hexarelin
HX2	Hexarelin Acetate
PE-50701-01	Hexarelin Peptide

Hexarelin

Chemical Information

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