CS-0129287
Rocuronium impurity 3
Manufacturer: ChemScene
CAS Number: 144209-33-6
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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
C₂₇H₄₆N₂O₂
Molecular Weight
430.67
Synonyms
10,13-Dimethyl-2,16-dipyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SMILES
C[C@@]12[C@@H](O)[C@@H](N3CCCC3)C[C@@]1([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)[C@@H](N6CCCC6)C[C@]5(C)[C@@]4([H])CC2
Tpsa
46.94
Logp
3.8995
H Acceptors
4
H Donors
2
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 144209-33-6 | pyrrolidinyl)-, (2β,3α,5α,16β,17β)- | A2B Chem | -- |
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-P330-P362+P364-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: C₂₇H₄₆N₂O₂
Molecular Weight: 430.67
Synonyms: 10,13-Dimethyl-2,16-dipyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SMILES: C[C@@]12[C@@H](O)[C@@H](N3CCCC3)C[C@@]1([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)[C@@H](N6CCCC6)C[C@]5(C)[C@@]4([H])CC2
Tpsa: 46.94
Logp: 3.8995
H Acceptors: 4
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:
C₂₇H₄₆N₂O₂
Molecular Weight:
430.67
Synonyms:
10,13-Dimethyl-2,16-dipyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SMILES:
C[C@@]12[C@@H](O)[C@@H](N3CCCC3)C[C@@]1([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)[C@@H](N6CCCC6)C[C@]5(C)[C@@]4([H])CC2
Tpsa:
46.94
Logp:
3.8995
H Acceptors:
4
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: C₁₂H₁₆N₂O₃
Molecular Weight: 236.27
Synonyms: Carbamic acid, N-[(3-aminophenyl)methyl]-, (3R)-tetrahydro-3-furanyl ester
SMILES: O=C(O[C@H]1COCC1)NCC2=CC=CC(N)=C2
Tpsa: 73.58
Logp: 1.2839
H Acceptors: 4
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:
C₁₂H₁₆N₂O₃
Molecular Weight:
236.27
Synonyms:
Carbamic acid, N-[(3-aminophenyl)methyl]-, (3R)-tetrahydro-3-furanyl ester
SMILES:
O=C(O[C@H]1COCC1)NCC2=CC=CC(N)=C2
Tpsa:
73.58
Logp:
1.2839
H Acceptors:
4
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: C₁₉H₂₀N₂O₅
Molecular Weight: 356.37
Synonyms: None
SMILES: O=C(O[C@H]1COCC1)NCC2=CC=CC(NC(OC3=CC=CC=C3)=O)=C2
Tpsa: 85.89
Logp: 3.3126
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₀N₂O₅
Molecular Weight:
356.37
Synonyms:
None
SMILES:
O=C(O[C@H]1COCC1)NCC2=CC=CC(NC(OC3=CC=CC=C3)=O)=C2
Tpsa:
85.89
Logp:
3.3126
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₀FN₃O
Molecular Weight: 255.25
Synonyms: None
SMILES: O=C(C1=CC=C2N=C(N)NC2=C1)C3=CC=C(F)C=C3
Tpsa: 71.77
Logp: 2.5152
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₀FN₃O
Molecular Weight:
255.25
Synonyms:
None
SMILES:
O=C(C1=CC=C2N=C(N)NC2=C1)C3=CC=C(F)C=C3
Tpsa:
71.77
Logp:
2.5152
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2