CS-1001926
Caspofungin Impurity 6
Manufacturer: ChemScene
CAS Number: 1671884-42-6
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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
C₅₂H₈₈N₁₀O₁₆
Molecular Weight
1109.31
Synonyms
None
SMILES
O=C1[C@]2(N(C(=O)[C@]([C@@H](CCN)O)(NC(=O)[C@]([C@@H]([C@@H](O)C3=CC=C(O)C=C3)O)(NC(=O)[C@]4(N(C(=O)[C@]([C@@H](C)O)(NC(=O)[C@@H](NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)C[C@@H](O)[C@@H](N(CCN)O)N1)[H])C[C@H](O)C4)[H])[H])[H])CC[C@@H]2O)[H]
Tpsa
423.47
Logp
-3.2103
H Acceptors
19
H Donors
16
Rotatable Bonds
23
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₂H₈₈N₁₀O₁₆
Molecular Weight: 1109.31
Synonyms: None
SMILES: O=C1[C@]2(N(C(=O)[C@]([C@@H](CCN)O)(NC(=O)[C@]([C@@H]([C@@H](O)C3=CC=C(O)C=C3)O)(NC(=O)[C@]4(N(C(=O)[C@]([C@@H](C)O)(NC(=O)[C@@H](NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)C[C@@H](O)[C@@H](N(CCN)O)N1)[H])C[C@H](O)C4)[H])[H])[H])CC[C@@H]2O)[H]
Tpsa: 423.47
Logp: -3.2103
H Acceptors: 19
H Donors: 16
Rotatable Bonds: 23
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₂H₈₈N₁₀O₁₆
Molecular Weight:
1109.31
Synonyms:
None
SMILES:
O=C1[C@]2(N(C(=O)[C@]([C@@H](CCN)O)(NC(=O)[C@]([C@@H]([C@@H](O)C3=CC=C(O)C=C3)O)(NC(=O)[C@]4(N(C(=O)[C@]([C@@H](C)O)(NC(=O)[C@@H](NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)C[C@@H](O)[C@@H](N(CCN)O)N1)[H])C[C@H](O)C4)[H])[H])[H])CC[C@@H]2O)[H]
Tpsa:
423.47
Logp:
-3.2103
H Acceptors:
19
H Donors:
16
Rotatable Bonds:
23
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₅N₃O₂
Molecular Weight: 245.28
Synonyms: None
SMILES: O=CN(C=1C(=O)N(C=2C=CC=CC2)N(C1C)C)C
Tpsa: 47.24
Logp: 1.07702
H Acceptors: 4
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:
C₁₃H₁₅N₃O₂
Molecular Weight:
245.28
Synonyms:
None
SMILES:
O=CN(C=1C(=O)N(C=2C=CC=CC2)N(C1C)C)C
Tpsa:
47.24
Logp:
1.07702
H Acceptors:
4
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: C₁₃H₁₂Cl₂N₂O
Molecular Weight: 283.15
Synonyms: None
SMILES: [C@@H](OC1=C(N)N=CC=C1)(C)C2=C(Cl)C=CC=C2Cl
Tpsa: 48.14
Logp: 4.1106
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₂Cl₂N₂O
Molecular Weight:
283.15
Synonyms:
None
SMILES:
[C@@H](OC1=C(N)N=CC=C1)(C)C2=C(Cl)C=CC=C2Cl
Tpsa:
48.14
Logp:
4.1106
H Acceptors:
3
H Donors:
1
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: C₈H₁₂BrN₃O
Molecular Weight: 246.10
Synonyms: None
SMILES: O=C1C=NC=C(C2CNCC2)N1.Br
Tpsa: 57.78
Logp: 0.4247
H Acceptors: 3
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:
C₈H₁₂BrN₃O
Molecular Weight:
246.10
Synonyms:
None
SMILES:
O=C1C=NC=C(C2CNCC2)N1.Br
Tpsa:
57.78
Logp:
0.4247
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1