CS-1003135
Atracurium Besylate Impurity 6
Manufacturer: ChemScene
CAS Number: 2480467-84-1
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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
C₂₈H₃₅NO₇S
Molecular Weight
529.65
Synonyms
None
SMILES
S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N+]1(C)C)C3=CC(OC)=C(OC)C=C3
Tpsa
94.12
Logp
4.228
H Acceptors
7
H Donors
0
Rotatable Bonds
7
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: C₂₈H₃₅NO₇S
Molecular Weight: 529.65
Synonyms: None
SMILES: S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N+]1(C)C)C3=CC(OC)=C(OC)C=C3
Tpsa: 94.12
Logp: 4.228
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₅NO₇S
Molecular Weight:
529.65
Synonyms:
None
SMILES:
S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N+]1(C)C)C3=CC(OC)=C(OC)C=C3
Tpsa:
94.12
Logp:
4.228
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₀O₈
Molecular Weight: 458.50
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](C(=O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COC(CCC(O)=O)=O)=O)O)[H]
Tpsa: 135.04
Logp: 2.1815
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₀O₈
Molecular Weight:
458.50
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](C(=O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COC(CCC(O)=O)=O)=O)O)[H]
Tpsa:
135.04
Logp:
2.1815
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₃NO₄
Molecular Weight: 353.41
Synonyms: None
SMILES: O[C@]12[C@@]34C=5C(O[C@]3(C(=O)C=C1)[H])=C(O)C=CC5C[C@]2(N(CC6CCC6)CC4)[H]
Tpsa: 70
Logp: 1.6915
H Acceptors: 5
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:
C₂₁H₂₃NO₄
Molecular Weight:
353.41
Synonyms:
None
SMILES:
O[C@]12[C@@]34C=5C(O[C@]3(C(=O)C=C1)[H])=C(O)C=CC5C[C@]2(N(CC6CCC6)CC4)[H]
Tpsa:
70
Logp:
1.6915
H Acceptors:
5
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: C₁₂H₁₄O₂
Molecular Weight: 190.24
Synonyms: None
SMILES: O=C(OC(C)C)C(=C)C=1C=CC=CC1
Tpsa: 26.3
Logp: 2.6514
H Acceptors: 2
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:
C₁₂H₁₄O₂
Molecular Weight:
190.24
Synonyms:
None
SMILES:
O=C(OC(C)C)C(=C)C=1C=CC=CC1
Tpsa:
26.3
Logp:
2.6514
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3