CS-1001119
Rocuronium Bromide Impurity 62
Manufacturer: ChemScene
CAS Number: 13492-57-4
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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
C₂₇H₄₄N₂O₄
Molecular Weight
460.65
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCOCC5)[H])(CC1)[H])[H])(C[C@@H](C2=O)N6CCOCC6)[H]
Tpsa
62.24
Logp
2.5805
H Acceptors
6
H Donors
1
Rotatable Bonds
2
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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: C₂₇H₄₄N₂O₄
Molecular Weight: 460.65
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCOCC5)[H])(CC1)[H])[H])(C[C@@H](C2=O)N6CCOCC6)[H]
Tpsa: 62.24
Logp: 2.5805
H Acceptors: 6
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:
C₂₇H₄₄N₂O₄
Molecular Weight:
460.65
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCOCC5)[H])(CC1)[H])[H])(C[C@@H](C2=O)N6CCOCC6)[H]
Tpsa:
62.24
Logp:
2.5805
H Acceptors:
6
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: C₁₄H₉ClO₄
Molecular Weight: 276.67
Synonyms: None
SMILES: O=C(OOC(=O)C=1C=CC=C(Cl)C1)C=2C=CC=CC2
Tpsa: 52.6
Logp: 3.2688
H Acceptors: 4
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:
C₁₄H₉ClO₄
Molecular Weight:
276.67
Synonyms:
None
SMILES:
O=C(OOC(=O)C=1C=CC=C(Cl)C1)C=2C=CC=CC2
Tpsa:
52.6
Logp:
3.2688
H Acceptors:
4
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: C₄₂H₇₉NO₅Si₂
Molecular Weight: 734.25
Synonyms: None
SMILES: O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(N(CCCC)C)=O)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)=C[C@H](C)C1)[H]
Tpsa: 65.07
Logp: 11.3386
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₇₉NO₅Si₂
Molecular Weight:
734.25
Synonyms:
None
SMILES:
O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(N(CCCC)C)=O)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)=C[C@H](C)C1)[H]
Tpsa:
65.07
Logp:
11.3386
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₄₉NO₅
Molecular Weight: 491.70
Synonyms: None
SMILES: O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(NCCCC)=O)O)O)=C[C@H](C)C1)[H]
Tpsa: 95.86
Logp: 4.9374
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₄₉NO₅
Molecular Weight:
491.70
Synonyms:
None
SMILES:
O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(NCCCC)=O)O)O)=C[C@H](C)C1)[H]
Tpsa:
95.86
Logp:
4.9374
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
13