CS-1000791
Tacrolimus Impurity 13
Manufacturer: ChemScene
CAS Number: 1242656-50-3
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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
C₄₄H₆₉NO₁₂
Molecular Weight
804.02
Synonyms
None
SMILES
O(C)[C@@H]1[C@]2([C@@H](OC)C[C@@H](C)C\C(\C)=C\[C@@H](CC=C)C(=O)C[C@@H](O)[C@@H](C)[C@@H](\C(=C\[C@H]3C[C@@H](OC)[C@H](O)CC3)\C)OC(=O)[C@]4(N(C(=O)[C@H](O)[C@@](C)(C1)C(=O)O2)CCCC4)[H])[H]
Tpsa
178.36
Logp
4.639
H Acceptors
12
H Donors
3
Rotatable Bonds
7
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: C₄₄H₆₉NO₁₂
Molecular Weight: 804.02
Synonyms: None
SMILES: O(C)[C@@H]1[C@]2([C@@H](OC)C[C@@H](C)C\C(\C)=C\[C@@H](CC=C)C(=O)C[C@@H](O)[C@@H](C)[C@@H](\C(=C\[C@H]3C[C@@H](OC)[C@H](O)CC3)\C)OC(=O)[C@]4(N(C(=O)[C@H](O)[C@@](C)(C1)C(=O)O2)CCCC4)[H])[H]
Tpsa: 178.36
Logp: 4.639
H Acceptors: 12
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:
C₄₄H₆₉NO₁₂
Molecular Weight:
804.02
Synonyms:
None
SMILES:
O(C)[C@@H]1[C@]2([C@@H](OC)C[C@@H](C)C\C(\C)=C\[C@@H](CC=C)C(=O)C[C@@H](O)[C@@H](C)[C@@H](\C(=C\[C@H]3C[C@@H](OC)[C@H](O)CC3)\C)OC(=O)[C@]4(N(C(=O)[C@H](O)[C@@](C)(C1)C(=O)O2)CCCC4)[H])[H]
Tpsa:
178.36
Logp:
4.639
H Acceptors:
12
H Donors:
3
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆N₂O₅
Molecular Weight: 292.29
Synonyms: None
SMILES: O(C(OC1=CC=C(N(=O)=O)C=C1)=O)[C@@H]2C3CCN(C2)CC3
Tpsa: 81.91
Logp: 2.2044
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆N₂O₅
Molecular Weight:
292.29
Synonyms:
None
SMILES:
O(C(OC1=CC=C(N(=O)=O)C=C1)=O)[C@@H]2C3CCN(C2)CC3
Tpsa:
81.91
Logp:
2.2044
H Acceptors:
6
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: C₁₀H₁₂O₃
Molecular Weight: 180.20
Synonyms: None
SMILES: O=C(O)C1=CC=C(O)C=C1C(C)C
Tpsa: 57.53
Logp: 2.2138
H Acceptors: 2
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:
C₁₀H₁₂O₃
Molecular Weight:
180.20
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(O)C=C1C(C)C
Tpsa:
57.53
Logp:
2.2138
H Acceptors:
2
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: C₉H₁₆O₃
Molecular Weight: 172.22
Synonyms: None
SMILES: C(C)(C)[C@H]1C(C)(C)[C@@H](O)C(=O)O1
Tpsa: 46.53
Logp: 0.9549
H Acceptors: 3
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:
C₉H₁₆O₃
Molecular Weight:
172.22
Synonyms:
None
SMILES:
C(C)(C)[C@H]1C(C)(C)[C@@H](O)C(=O)O1
Tpsa:
46.53
Logp:
0.9549
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1