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Name	Buserelin acetate	EINECS	261-061-9
CAS No.	68630-75-1	Density	1.43 g/cm³
PSA	475.57000	LogP	3.21630
Solubility	N/A	Melting Point	186-188°C
Formula	C₆₂H₉₀N₁₆O₁₅	Boiling Point	1691.5°C at 760 mmHg
Molecular Weight	1239.4242	Flash Point	976.8°C
Transport Information	N/A	Appearance	N/A
Safety	53-22-36/37/39-45	Risk Codes	60
Molecular Structure		Hazard Symbols	T
Synonyms	S 746766;Luteinizing hormone-releasing factor (pig), 6-(O-(1,1-dimethylethyl)-D-serine)-9-(N-ethyl-L-prolinamide)-10-deglycinamide-, monoacetate (salt);Buserelina [INN-Spanish];Suprecur (TN);ICI 123215;D-Ser(tbu(sup 6))-LH-RH-(1-9)-nonapeptide ethylamide;111520-35-5;Luteinizing hormone-releasing hormone (pig), 6-(O-(1,1-dimethylethyl)-D-serine)-9-(N-ethyl-L-prolinamide)-10-deglycinamide-;1-9-Luteinizing hormone-releasing factor (swine),6-[O-(1,1-dimethylethyl)-Dserine]- 9-(N-ethyl-L-prolinamide)-,monoacetate (salt);D-Ser-(TBu)(sup 6)-LHRH-ethylamide;N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxo-pentan-2-yl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-tert-butoxy-ethyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]-5-oxo-pyrrolidine-2-carboxamide;Suprecur;Buserelin acetate (JAN/USAN);Suprefact;(D-Ser(tbu)(sup 6)-EA(sup 10))-LHRH;HOE 766;Luteinizing hormone-releasing hormone, (D-ser(tbu)(sup 6)-EA(sup 10))-;(D-Ser(tbu)(sup 6)-EA(sup 10))-luteinizing hormone-releasing hormone;HOE 766MP;(D-Ser(Bu(sup t)(sup 6)))-LH-RH(1-9)nonapeptide-ethylamide;Buserelinum [INN-Latin];5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-O-tert-butyl-D-seryl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide monoacetate (salt);Buserelin acetate;104428-01-5;Busereline [INN-French];Buserelin monoacetate;Luteinizing hormone-releasing factor (pig), 6-(O-(1,1-dimethylethyl)-D-serine)-9-(N-ethyl-L-prolinamide)-10-deglycinamide-;(Des-Gly10,D-Ser(tBu)6,Pro-NHEt9)-LHRH;acetic acid; (2S)-N-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1R)-1-[[(1S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxo-pentan-2-yl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-tert-butoxy-ethyl]carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]-5-oxo-pyrrolidine-2-carboxamide;

Buserelin acetate Specification

The Buserelin acetate [USAN:JAN], with the CAS registry number 68630-75-1, is also known as Buserelin acetate. This chemical's molecular formula is C₆₂H₉₀N₁₆O₁₅and formula weight is 1239.4242. What's more, its systematic name is Luteinizing hormone-releasing factor (pig), 6-(O-(1,1-dimethylethyl)-D-serine)-9-(N-ethyl-L-prolinamide)-10-deglycinamide-, monoacetate (salt). Its classification codes are: (1)Drug/Therapeutic Agent; (2)Gonad-stimulating principle; (3)Reproductive Effect.

Physical properties of Buserelin acetate [USAN:JAN] are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.84; (4)ACD/LogD (pH 7.4): -0.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)#H bond acceptors: 29; (9)#H bond donors: 17; (10)#Freely Rotating Bonds: 35; (11)Polar Surface Area: 272.38 Å²; (12)Index of Refraction: 1.671; (13)Molar Refractivity: 322.31 cm³; (14)Molar Volume: 861.4 cm³; (15)Surface Tension: 60.7 dyne/cm; (16)Density: 1.43 g/cm³.

When you are using this chemical, please be cautious about it as the following:
It may impair fertility. It should be avoided exposure - obtain special instructions before use. You should not breathe dust. When using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O
(2)Isomeric 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
(3)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
(4)InChIKey: PYMDEDHDQYLBRT-DRIHCAFSSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 1gm/kg (1000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 831, 1987.
mouse	LD50	subcutaneous	> 1gm/kg (1000mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 831, 1987.
rat	LD50	oral	> 400mg/kg (400mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 831, 1987.
rat	LD50	subcutaneous	> 500mg/kg (500mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 831, 1987.

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