CS-1000271
Methylprednisolone Impurity 46
Manufacturer: ChemScene
CAS Number: 1048031-80-6
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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
C₂₂H₃₀O₄
Molecular Weight
358.47
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@H](C)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]
Tpsa
74.6
Logp
2.8312
H Acceptors
4
H Donors
2
Rotatable Bonds
1
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: C₂₂H₃₀O₄
Molecular Weight: 358.47
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@H](C)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]
Tpsa: 74.6
Logp: 2.8312
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₃₀O₄
Molecular Weight:
358.47
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@H](C)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]
Tpsa:
74.6
Logp:
2.8312
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₈N₂O₇
Molecular Weight: 362.33
Synonyms: None
SMILES: C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])([C@@H](C)C2=O)[H]
Tpsa: 127.05
Logp: 0.4332
H Acceptors: 7
H Donors: 1
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:
C₁₇H₁₈N₂O₇
Molecular Weight:
362.33
Synonyms:
None
SMILES:
C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])([C@@H](C)C2=O)[H]
Tpsa:
127.05
Logp:
0.4332
H Acceptors:
7
H Donors:
1
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: C₁₆H₂₄Cl₂N₂O₂
Molecular Weight: 347.28
Synonyms: None
SMILES: N(CCCl)(CCCl)C1=CC=C(C[C@@H](C(OC(C)C)=O)N)C=C1
Tpsa: 55.56
Logp: 2.792
H Acceptors: 4
H Donors: 1
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:
C₁₆H₂₄Cl₂N₂O₂
Molecular Weight:
347.28
Synonyms:
None
SMILES:
N(CCCl)(CCCl)C1=CC=C(C[C@@H](C(OC(C)C)=O)N)C=C1
Tpsa:
55.56
Logp:
2.792
H Acceptors:
4
H Donors:
1
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: C₂₁H₂₆FN₃O₄
Molecular Weight: 403.45
Synonyms: None
SMILES: O=C(OCC)C1=CN(C2=C(OC)C(=C(F)C=C2C1=O)N3CCNC(C)C3)C4CC4
Tpsa: 72.8
Logp: 2.4589
H Acceptors: 7
H Donors: 1
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:
C₂₁H₂₆FN₃O₄
Molecular Weight:
403.45
Synonyms:
None
SMILES:
O=C(OCC)C1=CN(C2=C(OC)C(=C(F)C=C2C1=O)N3CCNC(C)C3)C4CC4
Tpsa:
72.8
Logp:
2.4589
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
5