CS-1005472
Atracurium Besylate Impurity 34
Manufacturer: ChemScene
CAS Number: 96946-44-0
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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
C₅₉H₇₇N₂O₁₅S+
Molecular Weight
1086.31
Synonyms
None
SMILES
S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OCCCCCOC(CC[N@@+]3(C)[C@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa
183.64
Logp
8.6562
H Acceptors
15
H Donors
0
Rotatable Bonds
25
SAFETY INFORMATION
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₉H₇₇N₂O₁₅S+
Molecular Weight: 1086.31
Synonyms: None
SMILES: S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OCCCCCOC(CC[N@@+]3(C)[C@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa: 183.64
Logp: 8.6562
H Acceptors: 15
H Donors: 0
Rotatable Bonds: 25
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₉H₇₇N₂O₁₅S+
Molecular Weight:
1086.31
Synonyms:
None
SMILES:
S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OCCCCCOC(CC[N@@+]3(C)[C@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa:
183.64
Logp:
8.6562
H Acceptors:
15
H Donors:
0
Rotatable Bonds:
25
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₂NaO₇S
Molecular Weight: 333.35
Synonyms: None
SMILES: [Na].O=C(OCC(CC)CCCC)CC(C(=O)O)S(=O)(=O)O
Tpsa: 117.97
Logp: 1.0963
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 10
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₂NaO₇S
Molecular Weight:
333.35
Synonyms:
None
SMILES:
[Na].O=C(OCC(CC)CCCC)CC(C(=O)O)S(=O)(=O)O
Tpsa:
117.97
Logp:
1.0963
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁N₅O₄
Molecular Weight: 265.23
Synonyms: None
SMILES: O=C1N=C(NC(=O)C)NC2=C1N=CN2COC(=O)C
Tpsa: 118.97
Logp: -0.4014
H Acceptors: 7
H Donors: 2
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:
C₁₀H₁₁N₅O₄
Molecular Weight:
265.23
Synonyms:
None
SMILES:
O=C1N=C(NC(=O)C)NC2=C1N=CN2COC(=O)C
Tpsa:
118.97
Logp:
-0.4014
H Acceptors:
7
H Donors:
2
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: C₁₂H₁₃NO₄S
Molecular Weight: 267.30
Synonyms: None
SMILES: O=C(O)C1NC(SC1)C(C(=O)O)C=2C=CC=CC2
Tpsa: 86.63
Logp: 0.9705
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃NO₄S
Molecular Weight:
267.30
Synonyms:
None
SMILES:
O=C(O)C1NC(SC1)C(C(=O)O)C=2C=CC=CC2
Tpsa:
86.63
Logp:
0.9705
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
4