CS-1002975
Cangrelor Impurity 9
Manufacturer: ChemScene
CAS Number: 2353388-08-4
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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
C₃₃H₄₆Cl₂F₆N₁₀O₁₈P₄S₄
Molecular Weight
1307.83
Synonyms
None
SMILES
N(CCSC)C1=C2C(N(C=N2)[C@@H]3O[C@H](COP(OP(C(P(OP(OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N5C=6C(N=C5)=C(NCCSC)N=C(SCCC(F)(F)F)N6)(=O)O)(=O)O)(Cl)Cl)(=O)O)(=O)O)[C@@H](O)[C@H]3O)=NC(SCCC(F)(F)F)=N1
Tpsa
396.76
Logp
5.2703
H Acceptors
28
H Donors
10
Rotatable Bonds
28
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: C₃₃H₄₆Cl₂F₆N₁₀O₁₈P₄S₄
Molecular Weight: 1307.83
Synonyms: None
SMILES: N(CCSC)C1=C2C(N(C=N2)[C@@H]3O[C@H](COP(OP(C(P(OP(OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N5C=6C(N=C5)=C(NCCSC)N=C(SCCC(F)(F)F)N6)(=O)O)(=O)O)(Cl)Cl)(=O)O)(=O)O)[C@@H](O)[C@H]3O)=NC(SCCC(F)(F)F)=N1
Tpsa: 396.76
Logp: 5.2703
H Acceptors: 28
H Donors: 10
Rotatable Bonds: 28
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₆Cl₂F₆N₁₀O₁₈P₄S₄
Molecular Weight:
1307.83
Synonyms:
None
SMILES:
N(CCSC)C1=C2C(N(C=N2)[C@@H]3O[C@H](COP(OP(C(P(OP(OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N5C=6C(N=C5)=C(NCCSC)N=C(SCCC(F)(F)F)N6)(=O)O)(=O)O)(Cl)Cl)(=O)O)(=O)O)[C@@H](O)[C@H]3O)=NC(SCCC(F)(F)F)=N1
Tpsa:
396.76
Logp:
5.2703
H Acceptors:
28
H Donors:
10
Rotatable Bonds:
28
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈Cl₂O₂
Molecular Weight: 207.05
Synonyms: None
SMILES: ClC1=CC=C(C=C1O)C(O)CCl
Tpsa: 40.46
Logp: 2.3178
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈Cl₂O₂
Molecular Weight:
207.05
Synonyms:
None
SMILES:
ClC1=CC=C(C=C1O)C(O)CCl
Tpsa:
40.46
Logp:
2.3178
H Acceptors:
2
H Donors:
2
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: C₁₃H₁₀F₄N₂O₂
Molecular Weight: 302.22
Synonyms: None
SMILES: O=C1C=C(NC(=O)N1CC=2C(F)=CC=CC2C(F)(F)F)C
Tpsa: 54.86
Logp: 2.05122
H Acceptors: 3
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:
C₁₃H₁₀F₄N₂O₂
Molecular Weight:
302.22
Synonyms:
None
SMILES:
O=C1C=C(NC(=O)N1CC=2C(F)=CC=CC2C(F)(F)F)C
Tpsa:
54.86
Logp:
2.05122
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₂O₂
Molecular Weight: 224.25
Synonyms: None
SMILES: O=C1C=2C=CC=CC2COC3=CC=C(C=C31)C
Tpsa: 26.3
Logp: 3.11842
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₂O₂
Molecular Weight:
224.25
Synonyms:
None
SMILES:
O=C1C=2C=CC=CC2COC3=CC=C(C=C31)C
Tpsa:
26.3
Logp:
3.11842
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0