CS-1003634
Isavuconazole Impurity 37
Manufacturer: ChemScene
CAS Number: 338990-63-9
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₀H₄₃ClF₂N₈O₇S
Molecular Weight
853.33
Synonyms
None
SMILES
[C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(COC(CN(C(OC(C)(C)C)=O)C)=O)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5.[Cl-]
Tpsa
176.88
Logp
3.23608
H Acceptors
13
H Donors
1
Rotatable Bonds
13
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₄₃ClF₂N₈O₇S
Molecular Weight: 853.33
Synonyms: None
SMILES: [C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(COC(CN(C(OC(C)(C)C)=O)C)=O)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5.[Cl-]
Tpsa: 176.88
Logp: 3.23608
H Acceptors: 13
H Donors: 1
Rotatable Bonds: 13
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₃ClF₂N₈O₇S
Molecular Weight:
853.33
Synonyms:
None
SMILES:
[C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(COC(CN(C(OC(C)(C)C)=O)C)=O)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5.[Cl-]
Tpsa:
176.88
Logp:
3.23608
H Acceptors:
13
H Donors:
1
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄N₂
Molecular Weight: 222.29
Synonyms: None
SMILES: N=1C=2C=CC=CC2CC=3C=CC=CC3C1CN
Tpsa: 38.38
Logp: 2.6703
H Acceptors: 2
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:
C₁₅H₁₄N₂
Molecular Weight:
222.29
Synonyms:
None
SMILES:
N=1C=2C=CC=CC2CC=3C=CC=CC3C1CN
Tpsa:
38.38
Logp:
2.6703
H Acceptors:
2
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: C₁₀H₂₄O₇P₂
Molecular Weight: 318.24
Synonyms: None
SMILES: O=P(OCC)(OCC)COCP(=O)(OCC)OCC
Tpsa: 80.29
Logp: 3.4502
H Acceptors: 7
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:
C₁₀H₂₄O₇P₂
Molecular Weight:
318.24
Synonyms:
None
SMILES:
O=P(OCC)(OCC)COCP(=O)(OCC)OCC
Tpsa:
80.29
Logp:
3.4502
H Acceptors:
7
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: C₅H₇N₅O
Molecular Weight: 153.14
Synonyms: None
SMILES: OC1NC=2N=CN=C(N)C2N1
Tpsa: 96.09
Logp: -0.8279
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₇N₅O
Molecular Weight:
153.14
Synonyms:
None
SMILES:
OC1NC=2N=CN=C(N)C2N1
Tpsa:
96.09
Logp:
-0.8279
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
0