CS-1000202
Tacrolimus Impurity 14
Manufacturer: ChemScene
CAS Number: 1026775-21-2
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₆N₂O₂
Molecular Weight: 290.40
Synonyms: None
SMILES: O=C1N(C2=CC=CC(=C2C1)CCN(CCC)CCC)CO
Tpsa: 43.78
Logp: 2.19
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₆N₂O₂
Molecular Weight:
290.40
Synonyms:
None
SMILES:
O=C1N(C2=CC=CC(=C2C1)CCN(CCC)CCC)CO
Tpsa:
43.78
Logp:
2.19
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₃₁I
Molecular Weight: 386.35
Synonyms: None
SMILES: ICCC1=CC=C(C=C1)CCCCCCCCCCC
Tpsa: 0
Logp: 6.7374
H Acceptors: 0
H Donors: 0
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:
C₁₉H₃₁I
Molecular Weight:
386.35
Synonyms:
None
SMILES:
ICCC1=CC=C(C=C1)CCCCCCCCCCC
Tpsa:
0
Logp:
6.7374
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
12
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₅NO₄
Molecular Weight: 307.38
Synonyms: None
SMILES: O=C(OCC)CCCCCCCNC(=O)C=1C=CC=CC1O
Tpsa: 75.63
Logp: 3.0257
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 10
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₅NO₄
Molecular Weight:
307.38
Synonyms:
None
SMILES:
O=C(OCC)CCCCCCCNC(=O)C=1C=CC=CC1O
Tpsa:
75.63
Logp:
3.0257
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
10