CS-1000824
Rocuronium Bromide Impurity 29
Manufacturer: ChemScene
CAS Number: 1252016-49-1
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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
C₂₇H₄₆N₂O₃
Molecular Weight
446.67
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H]([C@H](O)C4)N5CCOCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa
56.17
Logp
3.1359
H Acceptors
5
H Donors
2
Rotatable Bonds
2
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₄₆N₂O₃
Molecular Weight: 446.67
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H]([C@H](O)C4)N5CCOCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa: 56.17
Logp: 3.1359
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:
C₂₇H₄₆N₂O₃
Molecular Weight:
446.67
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H]([C@H](O)C4)N5CCOCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa:
56.17
Logp:
3.1359
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: C₁₃H₁₆ClNO
Molecular Weight: 237.73
Synonyms: None
SMILES: Cl.O1C=CC=2C1=CC=C3C2C(CCN)CC3
Tpsa: 39.16
Logp: 3.2332
H Acceptors: 2
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:
C₁₃H₁₆ClNO
Molecular Weight:
237.73
Synonyms:
None
SMILES:
Cl.O1C=CC=2C1=CC=C3C2C(CCN)CC3
Tpsa:
39.16
Logp:
3.2332
H Acceptors:
2
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: C₂₅H₃₁NO₃
Molecular Weight: 393.52
Synonyms: None
SMILES: C(\CCN(C)C)=C/1\C=2C(OCC=3C1=CC=CC3)=CC=C(CC(OCCCC)=O)C2
Tpsa: 38.77
Logp: 4.8482
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₁NO₃
Molecular Weight:
393.52
Synonyms:
None
SMILES:
C(\CCN(C)C)=C/1\C=2C(OCC=3C1=CC=CC3)=CC=C(CC(OCCCC)=O)C2
Tpsa:
38.77
Logp:
4.8482
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁BrO₂
Molecular Weight: 267.12
Synonyms: None
SMILES: BrC1=CC=C(OC)C=2C=CC=C(OC)C12
Tpsa: 18.46
Logp: 3.6195
H Acceptors: 2
H Donors: 0
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:
C₁₂H₁₁BrO₂
Molecular Weight:
267.12
Synonyms:
None
SMILES:
BrC1=CC=C(OC)C=2C=CC=C(OC)C12
Tpsa:
18.46
Logp:
3.6195
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2