CS-1001614
Obeticholic Acid Impurity 47
Manufacturer: ChemScene
CAS Number: 1516887-34-5
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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
C₂₆H₄₀O₄
Molecular Weight
416.59
Synonyms
None
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])(C(=O)/C(=C\C)/[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Tpsa
74.6
Logp
5.2423
H Acceptors
3
H Donors
2
Rotatable Bonds
4
Related Products
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: C₂₆H₄₀O₄
Molecular Weight: 416.59
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])(C(=O)/C(=C\C)/[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Tpsa: 74.6
Logp: 5.2423
H Acceptors: 3
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:
C₂₆H₄₀O₄
Molecular Weight:
416.59
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])(C(=O)/C(=C\C)/[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Tpsa:
74.6
Logp:
5.2423
H Acceptors:
3
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: C₁₁H₁₈N₄O₅
Molecular Weight: 286.28
Synonyms: None
SMILES: [C@H](CN(CC(N)=O)CC(O)=O)(C)N1CC(=O)NC(=O)C1
Tpsa: 133.04
Logp: -2.7948
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₈N₄O₅
Molecular Weight:
286.28
Synonyms:
None
SMILES:
[C@H](CN(CC(N)=O)CC(O)=O)(C)N1CC(=O)NC(=O)C1
Tpsa:
133.04
Logp:
-2.7948
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₂O₆
Molecular Weight: 180.16
Synonyms: None
SMILES: [C@@](C[C@@H](CO)O)(C(O)=O)(CO)O
Tpsa: 118.22
Logp: -2.4623
H Acceptors: 5
H Donors: 5
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂O₆
Molecular Weight:
180.16
Synonyms:
None
SMILES:
[C@@](C[C@@H](CO)O)(C(O)=O)(CO)O
Tpsa:
118.22
Logp:
-2.4623
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₂O₆
Molecular Weight: 180.16
Synonyms: None
SMILES: [C@](C[C@@H](CO)O)(C(O)=O)(CO)O
Tpsa: 118.22
Logp: -2.4623
H Acceptors: 5
H Donors: 5
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂O₆
Molecular Weight:
180.16
Synonyms:
None
SMILES:
[C@](C[C@@H](CO)O)(C(O)=O)(CO)O
Tpsa:
118.22
Logp:
-2.4623
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
5