CS-0996857
Desmethyl Pimecrolimus
Manufacturer: ChemScene
CAS Number: 1025113-89-6
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₂H₆₆ClNO₁₁
Molecular Weight
796.43
Synonyms
Desmethyl SDZ-ASM 981
SMILES
CO[C@@H]1[C@]2([H])O[C@]([C@@H](C1)C)(C(C(N3[C@](CCCC3)([H])C(O[C@@H]([C@@H]([C@H](CC([C@@H](/C=C(C[C@@H](C[C@@H]2OC)C)\C)C)=O)O)C)/C(C)=C/[C@H]4C[C@H]([C@H](CC4)Cl)OC)=O)=O)=O)O
Tpsa
158.13
Logp
5.3293
H Acceptors
11
H Donors
2
Rotatable Bonds
5
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-P330-P362+P364-P501
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Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₂H₆₆ClNO₁₁
Molecular Weight: 796.43
Synonyms: Desmethyl SDZ-ASM 981
SMILES: CO[C@@H]1[C@]2([H])O[C@]([C@@H](C1)C)(C(C(N3[C@](CCCC3)([H])C(O[C@@H]([C@@H]([C@H](CC([C@@H](/C=C(C[C@@H](C[C@@H]2OC)C)\C)C)=O)O)C)/C(C)=C/[C@H]4C[C@H]([C@H](CC4)Cl)OC)=O)=O)=O)O
Tpsa: 158.13
Logp: 5.3293
H Acceptors: 11
H Donors: 2
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:
C₄₂H₆₆ClNO₁₁
Molecular Weight:
796.43
Synonyms:
Desmethyl SDZ-ASM 981
SMILES:
CO[C@@H]1[C@]2([H])O[C@]([C@@H](C1)C)(C(C(N3[C@](CCCC3)([H])C(O[C@@H]([C@@H]([C@H](CC([C@@H](/C=C(C[C@@H](C[C@@H]2OC)C)\C)C)=O)O)C)/C(C)=C/[C@H]4C[C@H]([C@H](CC4)Cl)OC)=O)=O)=O)O
Tpsa:
158.13
Logp:
5.3293
H Acceptors:
11
H Donors:
2
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: C₁₄H₁₈BClN₂O₂
Molecular Weight: 292.57
Synonyms: None
SMILES: N#CC=1C=C(C=C(NC)C1Cl)B2OC(C)(C)C(O2)(C)C
Tpsa: 54.28
Logp: 2.55258
H Acceptors: 4
H Donors: 1
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:
C₁₄H₁₈BClN₂O₂
Molecular Weight:
292.57
Synonyms:
None
SMILES:
N#CC=1C=C(C=C(NC)C1Cl)B2OC(C)(C)C(O2)(C)C
Tpsa:
54.28
Logp:
2.55258
H Acceptors:
4
H Donors:
1
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: C₁₉H₂₅BFNO₄
Molecular Weight: 361.22
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1C=C(B2OC(C)(C)C(O2)(C)C)C=3C(F)=CC=CC31
Tpsa: 49.69
Logp: 3.8628
H Acceptors: 5
H Donors: 0
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:
C₁₉H₂₅BFNO₄
Molecular Weight:
361.22
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1C=C(B2OC(C)(C)C(O2)(C)C)C=3C(F)=CC=CC31
Tpsa:
49.69
Logp:
3.8628
H Acceptors:
5
H Donors:
0
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: C₁₂H₁₄BFN₂O₄
Molecular Weight: 280.06
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1N=C(B(O)O)C=2C=CC=C(F)C21
Tpsa: 84.58
Logp: 0.6384
H Acceptors: 6
H Donors: 2
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:
C₁₂H₁₄BFN₂O₄
Molecular Weight:
280.06
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1N=C(B(O)O)C=2C=CC=C(F)C21
Tpsa:
84.58
Logp:
0.6384
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
1