CS-1001438
Tacrolimus Open Ring Impurity
Manufacturer: ChemScene
CAS Number: 144432-23-5
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Purity
≥90%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₄H₇₁NO₁₃
Molecular Weight
822.03
Synonyms
None
SMILES
O=C1[C@]2(N(C(=O)C(O)(O)C(=O)[C@H](C)C[C@H](OC)[C@H](O)[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)O1)CCCC2)[H]
Tpsa
209.59
Logp
3.5934
H Acceptors
13
H Donors
5
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 144432-23-5 | Oxacyclohexane open ring tacrolimus | A2B Chem | ₹ 1,21,837.44 |
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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: ≥90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₇₁NO₁₃
Molecular Weight: 822.03
Synonyms: None
SMILES: O=C1[C@]2(N(C(=O)C(O)(O)C(=O)[C@H](C)C[C@H](OC)[C@H](O)[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)O1)CCCC2)[H]
Tpsa: 209.59
Logp: 3.5934
H Acceptors: 13
H Donors: 5
Rotatable Bonds: 7
Purity:
≥90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₇₁NO₁₃
Molecular Weight:
822.03
Synonyms:
None
SMILES:
O=C1[C@]2(N(C(=O)C(O)(O)C(=O)[C@H](C)C[C@H](OC)[C@H](O)[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)O1)CCCC2)[H]
Tpsa:
209.59
Logp:
3.5934
H Acceptors:
13
H Donors:
5
Rotatable Bonds:
7
Purity: ≥90%
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(O[C@@](O)([C@H](C)C1)C(=O)C(=O)N3[C@](C(=O)O[C@H](\C(=C\[C@H]4C[C@@H](OC)[C@H](O)CC4)\C)[C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)/C=C(\C)/C[C@H](C)C[C@@H]2OC)(CCCC3)[H])[H]
Tpsa: 178.36
Logp: 4.639
H Acceptors: 12
H Donors: 3
Rotatable Bonds: 7
Purity:
≥90%
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(O[C@@](O)([C@H](C)C1)C(=O)C(=O)N3[C@](C(=O)O[C@H](\C(=C\[C@H]4C[C@@H](OC)[C@H](O)CC4)\C)[C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)/C=C(\C)/C[C@H](C)C[C@@H]2OC)(CCCC3)[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: C₁₇H₁₇N₃O₄
Molecular Weight: 327.33
Synonyms: None
SMILES: O=C1C=2C=NC=CC2C(=O)C=3C(=CC=C(NCCO)C13)NCCO
Tpsa: 111.55
Logp: 0.6654
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇N₃O₄
Molecular Weight:
327.33
Synonyms:
None
SMILES:
O=C1C=2C=NC=CC2C(=O)C=3C(=CC=C(NCCO)C13)NCCO
Tpsa:
111.55
Logp:
0.6654
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₇ClO
Molecular Weight: 296.79
Synonyms: None
SMILES: ClC(C=1C=CC=CC1)CCOC2=CC=CC=3C=CC=CC23
Tpsa: 9.23
Logp: 5.5888
H Acceptors: 1
H Donors: 0
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:
C₁₉H₁₇ClO
Molecular Weight:
296.79
Synonyms:
None
SMILES:
ClC(C=1C=CC=CC1)CCOC2=CC=CC=3C=CC=CC23
Tpsa:
9.23
Logp:
5.5888
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5