CS-0137269
(8S)-2-Bromo-α-Ergocryptine
Manufacturer: ChemScene
CAS Number: 65700-36-9
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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
C₃₂H₄₀BrN₅O₅
Molecular Weight
654.59
Synonyms
IsobroMocriptine
SMILES
O[C@@]([C@@](CCC1)([H])N1C2=O)(O[C@](C(C)C)3NC([C@H](CN4C)C=C([C@@]4([H])C5)C6=CC=CC(N7)=C6C5=C7Br)=O)N([C@H]2CC(C)C)C3=O
Tpsa
118.21
Logp
3.1928
H Acceptors
6
H Donors
3
Rotatable Bonds
5
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₃₂H₄₀BrN₅O₅
Molecular Weight: 654.59
Synonyms: IsobroMocriptine
SMILES: O[C@@]([C@@](CCC1)([H])N1C2=O)(O[C@](C(C)C)3NC([C@H](CN4C)C=C([C@@]4([H])C5)C6=CC=CC(N7)=C6C5=C7Br)=O)N([C@H]2CC(C)C)C3=O
Tpsa: 118.21
Logp: 3.1928
H Acceptors: 6
H Donors: 3
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:
C₃₂H₄₀BrN₅O₅
Molecular Weight:
654.59
Synonyms:
IsobroMocriptine
SMILES:
O[C@@]([C@@](CCC1)([H])N1C2=O)(O[C@](C(C)C)3NC([C@H](CN4C)C=C([C@@]4([H])C5)C6=CC=CC(N7)=C6C5=C7Br)=O)N([C@H]2CC(C)C)C3=O
Tpsa:
118.21
Logp:
3.1928
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD00011616
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₆H₉₈O₃₅
Molecular Weight: 1331.36
Synonyms: 2,6-Di-O-methyl-β-cyclodextrin
SMILES: COC[C@@H](O[C@@](O[C@]([C@@H]1O)([H])[C@H](O[C@@](O[C@]([C@@H]2O)([H])[C@H](O[C@@](O[C@]([C@@H]([C@H]3OC)O)([H])[C@H]4COC)([H])[C@@H]2OC)COC)([H])[C@@H]1OC)COC)([H])[C@@H]5OC)[C@](O[C@](O[C@@H]6COC)([H])[C@@H]([C@H]([C@]6([H])O[C@](O[C@@H]7COC)([H])[C@@H]([C@H]([C@]7([H])O[C@](O[C@@H]8COC)([H])[C@@H]([C@H]([C@]8([H])O[C@@]3([H])O4)O)OC)O)OC)O)OC)([H])[C@@H]5O
Tpsa: 400.05
Logp: -6.0732
H Acceptors: 35
H Donors: 7
Rotatable Bonds: 21
Purity:
98%
MDL No:
MFCD00011616
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₆H₉₈O₃₅
Molecular Weight:
1331.36
Synonyms:
2,6-Di-O-methyl-β-cyclodextrin
SMILES:
COC[C@@H](O[C@@](O[C@]([C@@H]1O)([H])[C@H](O[C@@](O[C@]([C@@H]2O)([H])[C@H](O[C@@](O[C@]([C@@H]([C@H]3OC)O)([H])[C@H]4COC)([H])[C@@H]2OC)COC)([H])[C@@H]1OC)COC)([H])[C@@H]5OC)[C@](O[C@](O[C@@H]6COC)([H])[C@@H]([C@H]([C@]6([H])O[C@](O[C@@H]7COC)([H])[C@@H]([C@H]([C@]7([H])O[C@](O[C@@H]8COC)([H])[C@@H]([C@H]([C@]8([H])O[C@@]3([H])O4)O)OC)O)OC)O)OC)([H])[C@@H]5O
Tpsa:
400.05
Logp:
-6.0732
H Acceptors:
35
H Donors:
7
Rotatable Bonds:
21
Purity: 98%
MDL No: MFCD29079197
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₄O₆
Molecular Weight: 348.39
Synonyms: None
SMILES: CC(C(OC)=C1C/C=C(C)/CCC(OCC)=O)=C(COC2=O)C2=C1O
Tpsa: 82.06
Logp: 3.21172
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
MFCD29079197
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₄O₆
Molecular Weight:
348.39
Synonyms:
None
SMILES:
CC(C(OC)=C1C/C=C(C)/CCC(OCC)=O)=C(COC2=O)C2=C1O
Tpsa:
82.06
Logp:
3.21172
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD00016790
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₀O₄
Molecular Weight: 254.24
Synonyms: Resogalangin
SMILES: O=C1C(O)=C(C2=CC=CC=C2)OC3=CC(O)=CC=C13
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
MFCD00016790
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₀O₄
Molecular Weight:
254.24
Synonyms:
Resogalangin
SMILES:
O=C1C(O)=C(C2=CC=CC=C2)OC3=CC(O)=CC=C13
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A