CS-1000524
Montelukast Impurity 18
Manufacturer: ChemScene
CAS Number: 1152185-58-4
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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
C₃₅H₃₆ClNO₄S
Molecular Weight
602.18
Synonyms
None
SMILES
C(S([C@H](CCC1=C(C(C)(C)O)C=CC=C1)C2=CC(/C=C/C3=NC4=C(C=C3)C=CC(Cl)=C4)=CC=C2)=O)C5(CC(O)=O)CC5
Tpsa
87.49
Logp
7.9635
H Acceptors
4
H Donors
2
Rotatable Bonds
12
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: C₃₅H₃₆ClNO₄S
Molecular Weight: 602.18
Synonyms: None
SMILES: C(S([C@H](CCC1=C(C(C)(C)O)C=CC=C1)C2=CC(/C=C/C3=NC4=C(C=C3)C=CC(Cl)=C4)=CC=C2)=O)C5(CC(O)=O)CC5
Tpsa: 87.49
Logp: 7.9635
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₃₆ClNO₄S
Molecular Weight:
602.18
Synonyms:
None
SMILES:
C(S([C@H](CCC1=C(C(C)(C)O)C=CC=C1)C2=CC(/C=C/C3=NC4=C(C=C3)C=CC(Cl)=C4)=CC=C2)=O)C5(CC(O)=O)CC5
Tpsa:
87.49
Logp:
7.9635
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₅N₃O₃S
Molecular Weight: 363.47
Synonyms: None
SMILES: O=S(=O)(NC1=CC=C(C=C1)CCN(C)CCOC2=CC=C(N)C=C2)C
Tpsa: 84.66
Logp: 2.1936
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:
C₁₈H₂₅N₃O₃S
Molecular Weight:
363.47
Synonyms:
None
SMILES:
O=S(=O)(NC1=CC=C(C=C1)CCN(C)CCOC2=CC=C(N)C=C2)C
Tpsa:
84.66
Logp:
2.1936
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: C₁₈H₁₉NO
Molecular Weight: 265.35
Synonyms: None
SMILES: O=C1C=2C=CC=CC2CN1C3=CC=C(C=C3)C(C)CC
Tpsa: 20.31
Logp: 4.3605
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₉NO
Molecular Weight:
265.35
Synonyms:
None
SMILES:
O=C1C=2C=CC=CC2CN1C3=CC=C(C=C3)C(C)CC
Tpsa:
20.31
Logp:
4.3605
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₅FN₄O₃
Molecular Weight: 306.29
Synonyms: None
SMILES: O=C(O)C1=CN(C2=NC(=C(F)C=C2C1=O)N3CCNCC3)C
Tpsa: 87.46
Logp: 0.1804
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₅FN₄O₃
Molecular Weight:
306.29
Synonyms:
None
SMILES:
O=C(O)C1=CN(C2=NC(=C(F)C=C2C1=O)N3CCNCC3)C
Tpsa:
87.46
Logp:
0.1804
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
2