CS-0532713
(S)-1-((3R,6S,9S,12S,15R,18S,21S)-3-((1H-Imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-15,18-diisobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide (Leuprorelin Leuprolide) Impurity
Manufacturer: ChemScene
CAS Number: 112642-11-2
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₅₉H₈₄N₁₆O₁₂
Molecular Weight
1209.40
Synonyms
(D-His2)-Leuprolide Trifluoroacetic Acid Salt
SMILES
O=C([C@@H]1CCC(N1)=O)N[C@H](CC2=CN=CN2)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N3[C@@H](CCC3)C(NCC)=O)=O)=O)=O)=O)CC4=CC=C(C=C4)O)=O)=O)CC5=CNC6=CC=CC=C56)=O
Tpsa
429.04
Logp
-1.22843
H Acceptors
14
H Donors
16
Rotatable Bonds
32
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 112642-11-2 | (D-HIS2)-LEUPROLIDE | A2B Chem | ₹ 59,720.88 |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₉H₈₄N₁₆O₁₂
Molecular Weight: 1209.40
Synonyms: (D-His2)-Leuprolide Trifluoroacetic Acid Salt
SMILES: O=C([C@@H]1CCC(N1)=O)N[C@H](CC2=CN=CN2)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N3[C@@H](CCC3)C(NCC)=O)=O)=O)=O)=O)CC4=CC=C(C=C4)O)=O)=O)CC5=CNC6=CC=CC=C56)=O
Tpsa: 429.04
Logp: -1.22843
H Acceptors: 14
H Donors: 16
Rotatable Bonds: 32
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₉H₈₄N₁₆O₁₂
Molecular Weight:
1209.40
Synonyms:
(D-His2)-Leuprolide Trifluoroacetic Acid Salt
SMILES:
O=C([C@@H]1CCC(N1)=O)N[C@H](CC2=CN=CN2)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N3[C@@H](CCC3)C(NCC)=O)=O)=O)=O)=O)CC4=CC=C(C=C4)O)=O)=O)CC5=CNC6=CC=CC=C56)=O
Tpsa:
429.04
Logp:
-1.22843
H Acceptors:
14
H Donors:
16
Rotatable Bonds:
32
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₆Cl₂N₄OS
Molecular Weight: 323.24
Synonyms: Thiamine nitrate EP Impurity B
SMILES: OCCC1=C(C)[N+](CC2=C(N)N=CN=C2)=CS1.[Cl-].Cl
Tpsa: 75.91
Logp: -2.27488
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₆Cl₂N₄OS
Molecular Weight:
323.24
Synonyms:
Thiamine nitrate EP Impurity B
SMILES:
OCCC1=C(C)[N+](CC2=C(N)N=CN=C2)=CS1.[Cl-].Cl
Tpsa:
75.91
Logp:
-2.27488
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₂N₂O₅
Molecular Weight: 416.51
Synonyms: (2S,3aS,6aS)-1-((2R)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid
SMILES: CCOC([C@H](CCC1=CC=CC=C1)N[C@H](C)C(N2[C@]3([H])[C@](CCC3)([H])C[C@H]2C(O)=O)=O)=O
Tpsa: 95.94
Logp: 2.3832
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₂N₂O₅
Molecular Weight:
416.51
Synonyms:
(2S,3aS,6aS)-1-((2R)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid
SMILES:
CCOC([C@H](CCC1=CC=CC=C1)N[C@H](C)C(N2[C@]3([H])[C@](CCC3)([H])C[C@H]2C(O)=O)=O)=O
Tpsa:
95.94
Logp:
2.3832
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₀Cl₂N₄OS
Molecular Weight: 351.30
Synonyms: None
SMILES: OCCC1=C(C)[N+](CC2=CN=C(CC)N=C2N)=CS1.[Cl-].Cl
Tpsa: 75.91
Logp: -1.71248
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₀Cl₂N₄OS
Molecular Weight:
351.30
Synonyms:
None
SMILES:
OCCC1=C(C)[N+](CC2=CN=C(CC)N=C2N)=CS1.[Cl-].Cl
Tpsa:
75.91
Logp:
-1.71248
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5