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Buserelin Acetate

CAT: 0013-GTR19156906-07Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156906-07Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Buserelin Acetate is an agonist of gonadotropin-releasing hormone receptor (GnRHR) .
CAS Number
68630-75-1
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
H2O:50 mg/mL (38.48 mM; Need ultrasonic)
Smiles
CC (O) =O.CCNC (=O) [C@@H]1CCCN1C (=O) [C@H] (CCCNC (N) =N) NC (=O) [C@H] (CC (C) C) NC (=O) [C@@H] (COC (C) (C) C) NC (=O) [C@H] (Cc1ccc (O) cc1) NC (=O) [C@H] (CO) NC (=O) [C@H] (Cc1c[nH]c2ccccc12) NC (=O) [C@H] (Cc1cnc[nH]1) NC (=O) [C@@H]1CCC (=O) N1
Molecular Formula
C62H90N16O15
Molecular Weight
1299.48
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Buserelin Acetate

Buserelin acetate is an organic molecular entity.

CAS Number68630-75-1
PubChem CID50224
IUPAC Nameacetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC62H90N16O15
Molecular Weight1299.5
Topological Polar Surface Area478
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count17
Rotatable Bond Count33
Heavy Atom Count93
Formal Charge0
Complexity2480
SMILES
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O
InChI
InChI=1S/C60H86N16O13.C2H4O2/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40;1-2(3)4/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65);1H3,(H,3,4)/t40-,41-,42-,43-,44-,45-,46-,47+,48-;/m0./s1
InChIKey
PYMDEDHDQYLBRT-DRIHCAFSSA-N
Chemical Structure
2D Structure
2D structure of Buserelin Acetate
CAS: 68630-75-1
CID: 50224
Formula: C62H90N16O15
MW: 1299.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1299.5
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count17
Rotatable Bond Count33
Exact Mass1298.67715623
Monoisotopic Mass1298.67715623
Topological Polar Surface Area478 Ų
Heavy Atom Count93
Formal Charge0
Complexity2480
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
005075Buserelin Acetate
HY-13581ABuserelin (Acetate)
A18236-100Buserelin Acetate 100mg
A18236-25Buserelin Acetate 25mg
A18236-10Buserelin Acetate 10mg
A18236-1Buserelin Acetate 1mg
A18236-50Buserelin Acetate 50mg
A18236-5Buserelin Acetate 5mg
A18236-2Buserelin Acetate 2mg
263334-01Buserelin acetate discontinued. See 005075

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