Fertirelin Acetate
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Basic information
- CAS
66002-66-2- Standard SMILES
CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=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- InChIKey
ZVTCYOIDKTXKGH-UYRFKBGYSA-N- Molecular formula
- C57H80N16O14
- Average molar mass
- 1,213.3 g/mol
- Monoisotopic mass
- 1,212.60399129
Overview
See also: Fertirelin (has active moiety).
Names & identifiers
- Preferred name
- Fertirelin Acetate
- IUPAC
- acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-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
- English name
- Fertirelin acetate
- Molecular formula
- C57H80N16O14
- Molecular weight
- 1213.37
Names & synonyms
Fertirelin acetateConceralOvalyse66002-66-2JD54DU77I8TAP 031 ACETATETAP-031 ACETATEU-69689ERefChem:1403385-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide MonoacetateLuteinizing Hormone-Releasing Factor (Pig), 9-(N-Ethyl-L-Prolinamide)-10-Deglycinamide-, MonoacetateFertirelin monoacetate
Show more names
Fertirelin?Acetate impurityLuteinizing hormone releasing factor (pig), 9-(N-ethyl-L-prolinamide)-10-deglycinamide-, monoacetate (salt)acetic acid:(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-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
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 469 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 30
- Heavy atoms
- 87
- Formal charge
- 0
- Complexity
- 2,310
Physicochemical properties
- alpha
- 25 · D25 -53.6° (c = 0.5 in 5% acetic acid)
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Sequence
- {Glp}-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-{ethylamide}
- FDA UNII
- 54 DU77I8 · JD54DU77I8
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 360 · H360
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesRepr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H360
Chemistry & industry
Applications
UsesFertirelin Acetate is a gonadotropin-releasing hormone (GnRH) agonists that induces estrus in dogs and cats . It also has an effect on the pregnancy rate in cows.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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