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Gonadorelin acetate 10mg

CAT: 0628-A18031-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A18031-10Size:10 mg
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CAS Number
34973-08-5

Chemical Information

Gonadorelin Acetate

See also: Goserelin (related); Leuprolide (related); Buserelin (related) ... View More ...

CAS Number34973-08-5
PubChem CID11980076
IUPAC Nameacetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]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 FormulaC57H79N17O15
Molecular Weight1242.3
Topological Polar Surface Area512
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count17
Rotatable Bond Count31
Heavy Atom Count89
Formal Charge0
Complexity2420
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=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/C55H75N17O13.C2H4O2/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;1-2(3)4/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);1H3,(H,3,4)/t36-,37-,38-,39-,40-,41-,42-,43-;/m0./s1
InChIKey
NGCGMRBZPXEPOZ-HBBGHHHDSA-N
Chemical Structure
2D Structure
2D structure of Gonadorelin Acetate
CAS: 34973-08-5
CID: 11980076
Formula: C57H79N17O15
MW: 1242.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1242.3
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count17
Rotatable Bond Count31
Exact Mass1241.59415488
Monoisotopic Mass1241.59415488
Topological Polar Surface Area512 Ų
Heavy Atom Count89
Formal Charge0
Complexity2420
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

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Alternative Products

CatalogName
FG65032-01Gonadorelin acetate
HY-12555Gonadorelin (acetate)
PP-1370Gonadorelin, Acetate
GND2Gonadorelin Acetate (Peptide)
GTR18896454-01Gonadorelin Acetate peptide
RM-G640005-01Gonadorelin acetate EP Impurity G
RM-G640002-01Gonadorelin acetate EP Impurity C
RM-G640004-01Gonadorelin acetate EP Impurity F
RM-G640003-01Gonadorelin acetate EP Impurity E

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