CS-0096988
rel-(3R,4aS,7aS)-1,6-Dibenzyl-3-hydroxyoctahydro-7H-pyrrolo[3,4-b]pyridin-7-one
Manufacturer: ChemScene
CAS Number: 2214243-59-9
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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
C₂₁H₂₄N₂O₂
Molecular Weight
336.43
Synonyms
None
SMILES
O=C1N(CC2=CC=CC=C2)C[C@@]3([H])[C@]1([H])N(CC4=CC=CC=C4)C[C@H](O)C3.[Relative stereochemistry]
Tpsa
43.78
Logp
2.2804
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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: C₂₁H₂₄N₂O₂
Molecular Weight: 336.43
Synonyms: None
SMILES: O=C1N(CC2=CC=CC=C2)C[C@@]3([H])[C@]1([H])N(CC4=CC=CC=C4)C[C@H](O)C3.[Relative stereochemistry]
Tpsa: 43.78
Logp: 2.2804
H Acceptors: 3
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:
C₂₁H₂₄N₂O₂
Molecular Weight:
336.43
Synonyms:
None
SMILES:
O=C1N(CC2=CC=CC=C2)C[C@@]3([H])[C@]1([H])N(CC4=CC=CC=C4)C[C@H](O)C3.[Relative stereochemistry]
Tpsa:
43.78
Logp:
2.2804
H Acceptors:
3
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: C₂₁H₂₄N₂O₂
Molecular Weight: 336.43
Synonyms: None
SMILES: O=C1N(CC2=CC=CC=C2)C[C@]3([H])[C@@]1([H])N(CC4=CC=CC=C4)[C@@H](CO)C3.[Relative stereochemistry]
Tpsa: 43.78
Logp: 2.2804
H Acceptors: 3
H Donors: 1
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:
C₂₁H₂₄N₂O₂
Molecular Weight:
336.43
Synonyms:
None
SMILES:
O=C1N(CC2=CC=CC=C2)C[C@]3([H])[C@@]1([H])N(CC4=CC=CC=C4)[C@@H](CO)C3.[Relative stereochemistry]
Tpsa:
43.78
Logp:
2.2804
H Acceptors:
3
H Donors:
1
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: C₂₃H₂₆N₂O₃
Molecular Weight: 378.46
Synonyms: None
SMILES: O=C([C@H]1C[C@@]2([H])[C@@](C(N(CC3=CC=CC=C3)C2)=O)([H])N1CC4=CC=CC=C4)OCC.[Relative stereochemistry]
Tpsa: 49.85
Logp: 2.8512
H Acceptors: 4
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:
C₂₃H₂₆N₂O₃
Molecular Weight:
378.46
Synonyms:
None
SMILES:
O=C([C@H]1C[C@@]2([H])[C@@](C(N(CC3=CC=CC=C3)C2)=O)([H])N1CC4=CC=CC=C4)OCC.[Relative stereochemistry]
Tpsa:
49.85
Logp:
2.8512
H Acceptors:
4
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: C₁₉H₂₂N₂O
Molecular Weight: 294.39
Synonyms: None
SMILES: O=C(N(CC1=CC=CC=C1)CC=C)CNCC2=CC=CC=C2
Tpsa: 32.34
Logp: 2.991
H Acceptors: 2
H Donors: 1
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:
C₁₉H₂₂N₂O
Molecular Weight:
294.39
Synonyms:
None
SMILES:
O=C(N(CC1=CC=CC=C1)CC=C)CNCC2=CC=CC=C2
Tpsa:
32.34
Logp:
2.991
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
8