CS-0531486
2-(13-((1H-Indol-3-yl)methyl)-19-(2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-7-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-hydroxybutyl acetate Octreotide Impurity
Manufacturer: ChemScene
CAS Number: 133304-81-1
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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
C₅₁H₆₈N₁₀O₁₁S₂
Molecular Weight
1061.28
Synonyms
Octreotide EP Impurity F
SMILES
O=C(C)OCC(C(C)O)NC(C1NC(C(C(C)O)NC(C(CCCCN)NC(C(CC2=CNC3=C2C=CC=C3)NC(C(CC4=CC=CC=C4)NC(C(CSSC1)NC(C(CC5=CC=CC=C5)N)=O)=O)=O)=O)=O)=O)=O
Tpsa
338.29
Logp
-0.2346
H Acceptors
15
H Donors
12
Rotatable Bonds
18
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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: C₅₁H₆₈N₁₀O₁₁S₂
Molecular Weight: 1061.28
Synonyms: Octreotide EP Impurity F
SMILES: O=C(C)OCC(C(C)O)NC(C1NC(C(C(C)O)NC(C(CCCCN)NC(C(CC2=CNC3=C2C=CC=C3)NC(C(CC4=CC=CC=C4)NC(C(CSSC1)NC(C(CC5=CC=CC=C5)N)=O)=O)=O)=O)=O)=O)=O
Tpsa: 338.29
Logp: -0.2346
H Acceptors: 15
H Donors: 12
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₆₈N₁₀O₁₁S₂
Molecular Weight:
1061.28
Synonyms:
Octreotide EP Impurity F
SMILES:
O=C(C)OCC(C(C)O)NC(C1NC(C(C(C)O)NC(C(CCCCN)NC(C(CC2=CNC3=C2C=CC=C3)NC(C(CC4=CC=CC=C4)NC(C(CSSC1)NC(C(CC5=CC=CC=C5)N)=O)=O)=O)=O)=O)=O)=O
Tpsa:
338.29
Logp:
-0.2346
H Acceptors:
15
H Donors:
12
Rotatable Bonds:
18
Purity: 98%
MDL No: MFCD09753818
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁NO₄
Molecular Weight: 173.17
Synonyms: 2-((2RS)-2-Aminobut-3-enyl)propanedioic acid
SMILES: O=C(C(CC(C=C)N)C(O)=O)O
Tpsa: 100.62
Logp: -0.3248
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD09753818
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₁NO₄
Molecular Weight:
173.17
Synonyms:
2-((2RS)-2-Aminobut-3-enyl)propanedioic acid
SMILES:
O=C(C(CC(C=C)N)C(O)=O)O
Tpsa:
100.62
Logp:
-0.3248
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₁₀ClF₂NO₂S
Molecular Weight: 209.64
Synonyms: 3-(Difluoromethylsulfonyl)propan-1-amine; hydrochloride
SMILES: NCCCS(=O)(C(F)F)=O.[H]Cl
Tpsa: 60.16
Logp: 0.3944
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₁₀ClF₂NO₂S
Molecular Weight:
209.64
Synonyms:
3-(Difluoromethylsulfonyl)propan-1-amine; hydrochloride
SMILES:
NCCCS(=O)(C(F)F)=O.[H]Cl
Tpsa:
60.16
Logp:
0.3944
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD21363416
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₉ClN₂O₈
Molecular Weight: 556.99
Synonyms: 2-Carboxybenzoyl Amlodipine
SMILES: O=C(C1=C(C(NCCOCC2=C(C(OCC)=O)C(C3=C(Cl)C=CC=C3)C(C(OC)=O)=C(C)N2)=O)C=CC=C1)O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD21363416
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₉ClN₂O₈
Molecular Weight:
556.99
Synonyms:
2-Carboxybenzoyl Amlodipine
SMILES:
O=C(C1=C(C(NCCOCC2=C(C(OCC)=O)C(C3=C(Cl)C=CC=C3)C(C(OC)=O)=C(C)N2)=O)C=CC=C1)O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A