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Home> Encyclopedia > Hot Product Listed L   > Leuprorelin
53714-56-0 structure

Leuprorelin

Iupac Name:acetic 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]-4-methyl-1-oxopentan-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
CAS No.:53714-56-0
EINECS(EC#): 1806241-263-5
Molecular Weight:1269.473
Molecular Formula:C61H88N16O14 (isomer)
Names and Identifiers
Synonyms

(DES-GLY10,D-LEU6,PRO-NHET9)-LUTEINIZING HORMONE-RELEASING FACTOR (DES-GLY10,D-LEU6,PRO-NHET9)-LUTEINIZING HORMONE-RELEASING HORMONE [DES-GLY10, D-LEU6, PRO-NHET9]-LH-RH (HUMAN) [DES-GLY10, D-LEU6, PRO-NHET9]-LUTEINIZING HORMONE-RELEASING HORMONE HUMAN GLP-HIS-TRP-SER-TYR-DLEU-LEU-ARG-PRO-NHET: GLP-HWSY-DL-LRP-NHET LEUPROLIDE LEUPROLIDE (HUMAN) LH-RH LEUPROLIDE

Inchi
InChI=1S/C59H84N16O12.C2H4O2/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40;1-2(3)4/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64);1H3,(H,3,4)/t40-,41-,42-,43+,44-,45-,46-,47-,48-;/m0./s1
InChkey
RGLRXNKKBLIBQS-XNHQSDQCSA-N
Canonical Smiles
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(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
Isomers Smiles
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]
(C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)[C@H](CC3=CNC4=CC=
CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O
Properties
Appearance
Fluffy solid.
Density
1.44
Melting Point
150-155°C
Boiling Point
1720.5°C at 760 mmHg
Refractive Index
1.681
Flash Point
994.3°C
Alpha
D25 -31.7° (c = 1 in 1% acetic acid)
Stability
No data.
Storage temp
?20°C
Safety and Handling
Safety Statements
22-24/25
Safety

Safety Statements of Leuprolide (CAS NO.53714-56-0): 22-24/25?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: OH6390000

Specification

?Leuprolide (CAS NO.53714-56-0) is also named as (D-Leu(sup 6),des-gly-NH2(sup 10),pro-ethylamide(sup 9))-GNRH ; (D-Leu(sup 6),des-gly-NH2(sup 10),pro-ethylamide(sup 9))-LHRH ; (D-Leu(sup 6),des-gly-NH2(sup 10),pro-ethylamide(sup 9))-gonadotropin-releasing hormone ; A-43818 ; CCRIS 8462 ; Eligard ; HSDB 6518 ; Leuprorelin ; Leuprorelina ; Leuprorelina [INN-Spanish] ; Leuproreline ; Leuproreline [INN-French] ; Leuprorelinum ; Leuprorelinum [INN-Latin] ; NSC 377526 ; UNII-EFY6W0M8TG?.?Leuprolide (CAS NO.53714-56-0) is fluffy solid.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Synthesis Route
53714-56-0Total: 1 Synthesis Route
Computational chemical data
  • Molecular Weight:1269.473g/mol
  • Molecular Formula:C61H88N16O14
  • Compound Is Canonicalized:True
  • Exact Mass:1268.667
  • Monoisotopic Mass:1268.667
  • Complexity:2420
  • Rotatable Bond Count:32
  • Hydrogen Bond Donor Count:16
  • Hydrogen Bond Acceptor Count:16
  • Topological Polar Surface Area:469A^2
  • Heavy Atom Count:91
  • Defined Atom Stereocenter Count:9
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcfB//AAAAAAAAAAAAAAAAAAAAWLFiwAwYAAAAAAAAFgB/AAAHgAQCAAADSzhngY/3vfJkgCo AzX3fACCgC2xMqAJ2aG+fJiKfvbC2bOUcAhu9hPY2Cecy+COoAAAAAACAABAAAAAAAQAAAAAAAAA AA==
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