CS-1173021
(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2S,5S,E)-6-Hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol Calcitriol impurity
Manufacturer: ChemScene
CAS Number: 134523-90-3
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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
C₂₈H₄₄O₃
Molecular Weight
428.65
Synonyms
None
SMILES
C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@H](O)C/3=C
Tpsa
60.69
Logp
5.7267
H Acceptors
3
H Donors
3
Rotatable Bonds
5
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SAFETY INFORMATION
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: C₂₈H₄₄O₃
Molecular Weight: 428.65
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@H](O)C/3=C
Tpsa: 60.69
Logp: 5.7267
H Acceptors: 3
H Donors: 3
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:
C₂₈H₄₄O₃
Molecular Weight:
428.65
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@H](O)C/3=C
Tpsa:
60.69
Logp:
5.7267
H Acceptors:
3
H Donors:
3
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: C₁₂H₁₆O₃
Molecular Weight: 208.25
Synonyms: None
SMILES: CCC(OC1=CC=CC(C(O)=O)=C1)CC
Tpsa: 46.53
Logp: 2.9522
H Acceptors: 2
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:
C₁₂H₁₆O₃
Molecular Weight:
208.25
Synonyms:
None
SMILES:
CCC(OC1=CC=CC(C(O)=O)=C1)CC
Tpsa:
46.53
Logp:
2.9522
H Acceptors:
2
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: C₁₄H₁₉NO₃
Molecular Weight: 249.31
Synonyms: None
SMILES: CC(OCC1=CC=CC=C1)C(N2CCOCC2)=O
Tpsa: 38.77
Logp: 1.4505
H Acceptors: 3
H Donors: 0
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:
C₁₄H₁₉NO₃
Molecular Weight:
249.31
Synonyms:
None
SMILES:
CC(OCC1=CC=CC=C1)C(N2CCOCC2)=O
Tpsa:
38.77
Logp:
1.4505
H Acceptors:
3
H Donors:
0
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: C₁₃H₂₄O
Molecular Weight: 196.33
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2C(C)C)([H])[C@@H](O)CCC1
Tpsa: 20.23
Logp: 3.2197
H Acceptors: 1
H Donors: 1
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:
C₁₃H₂₄O
Molecular Weight:
196.33
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2C(C)C)([H])[C@@H](O)CCC1
Tpsa:
20.23
Logp:
3.2197
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1