CS-0532791
1-Allyl-1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-diacetoxy-10,13-dimethyl-2-(pyrrolidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)pyrrolidin-1-ium bromide Rocuronium Bromide Impurity
Manufacturer: ChemScene
CAS Number: 1190105-66-8
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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
C₃₄H₅₅BrN₂O₄
Molecular Weight
635.72
Synonyms
2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide
SMILES
CC(O[C@H]1[C@]([N+]2(CCCC2)CC=C)([H])C[C@]3([H])[C@@]1(CC[C@@]4([H])[C@@]3([H])CC[C@]5([H])[C@@]4(C[C@@](N6CCCC6)([H])[C@H](C5)OC(C)=O)C)C)=O.[Br-]
Tpsa
55.84
Logp
2.7459
H Acceptors
5
H Donors
0
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1190105-66-8 | 1-[3α,17β-acetoxy-2β-(pyrrolidin-1-yl)-5α-androstan-16β-yl]-1-(prop-2-enyl)pyrrolidinium bromide | A2B Chem | ₹ 15,571.92 - ₹ 60,747.60 |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/toxic.svg
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P260-P262-P264-P270-P271-P280-P284-P302+P352-P304+P340-P330-P361+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: C₃₄H₅₅BrN₂O₄
Molecular Weight: 635.72
Synonyms: 2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide
SMILES: CC(O[C@H]1[C@]([N+]2(CCCC2)CC=C)([H])C[C@]3([H])[C@@]1(CC[C@@]4([H])[C@@]3([H])CC[C@]5([H])[C@@]4(C[C@@](N6CCCC6)([H])[C@H](C5)OC(C)=O)C)C)=O.[Br-]
Tpsa: 55.84
Logp: 2.7459
H Acceptors: 5
H Donors: 0
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:
C₃₄H₅₅BrN₂O₄
Molecular Weight:
635.72
Synonyms:
2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide
SMILES:
CC(O[C@H]1[C@]([N+]2(CCCC2)CC=C)([H])C[C@]3([H])[C@@]1(CC[C@@]4([H])[C@@]3([H])CC[C@]5([H])[C@@]4(C[C@@](N6CCCC6)([H])[C@H](C5)OC(C)=O)C)C)=O.[Br-]
Tpsa:
55.84
Logp:
2.7459
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: MFCD00869318
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₁₀O₆S₄
Molecular Weight: 282.38
Synonyms: 2,2'-Dithiodiethanesulfonic acid
SMILES: O=S(O)(CCSSCCS(=O)(O)=O)=O
Tpsa: 108.74
Logp: 0.1434
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
MFCD00869318
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₁₀O₆S₄
Molecular Weight:
282.38
Synonyms:
2,2'-Dithiodiethanesulfonic acid
SMILES:
O=S(O)(CCSSCCS(=O)(O)=O)=O
Tpsa:
108.74
Logp:
0.1434
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD11109502
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₈O₄S₂
Molecular Weight: 184.23
Synonyms: 2-Acetylthioethanesulfonic Acid
SMILES: O=C(C)SCCS(=O)(O)=O
Tpsa: 71.44
Logp: 0.1539
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD11109502
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₈O₄S₂
Molecular Weight:
184.23
Synonyms:
2-Acetylthioethanesulfonic Acid
SMILES:
O=C(C)SCCS(=O)(O)=O
Tpsa:
71.44
Logp:
0.1539
H Acceptors:
4
H Donors:
1
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: C₂₀H₂₅ClN₂S₂
Molecular Weight: 393.01
Synonyms: Thioridazine Related Compound F (2-(Methylthio)-10-[2-(piperidin-2-yl)ethyl]-10H-phenothiazine hydr (1663063)
SMILES: CSC1=CC=C2SC3=C(N(CCC4NCCCC4)C2=C1)C=CC=C3.Cl
Tpsa: 15.27
Logp: 5.9652
H Acceptors: 4
H Donors: 1
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:
C₂₀H₂₅ClN₂S₂
Molecular Weight:
393.01
Synonyms:
Thioridazine Related Compound F (2-(Methylthio)-10-[2-(piperidin-2-yl)ethyl]-10H-phenothiazine hydr (1663063)
SMILES:
CSC1=CC=C2SC3=C(N(CCC4NCCCC4)C2=C1)C=CC=C3.Cl
Tpsa:
15.27
Logp:
5.9652
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4