CS-1004692
(1R,2R)-2-[3-[[(4E)-7-Carboxy-1-oxo-4-hepten-1-yl]oxy]propyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolinium
Manufacturer: ChemScene
CAS Number: 740777-60-0
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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
C₃₃H₄₆NO₉+
Molecular Weight
600.72
Synonyms
None
SMILES
C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCCOC(CC/C=C/CCC(O)=O)=O)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa
109.75
Logp
5.1506
H Acceptors
8
H Donors
1
Rotatable Bonds
17
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 740777-60-0 | | A2B Chem | -- |
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: C₃₃H₄₆NO₉+
Molecular Weight: 600.72
Synonyms: None
SMILES: C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCCOC(CC/C=C/CCC(O)=O)=O)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa: 109.75
Logp: 5.1506
H Acceptors: 8
H Donors: 1
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:
C₃₃H₄₆NO₉+
Molecular Weight:
600.72
Synonyms:
None
SMILES:
C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCCOC(CC/C=C/CCC(O)=O)=O)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa:
109.75
Logp:
5.1506
H Acceptors:
8
H Donors:
1
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: C₁₂H₁₆O₆S
Molecular Weight: 288.32
Synonyms: None
SMILES: O=C(OC)C1=CC=C(C=C1)CCCC(O)S(=O)(=O)O
Tpsa: 100.9
Logp: 1.0021
H Acceptors: 5
H Donors: 2
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:
C₁₂H₁₆O₆S
Molecular Weight:
288.32
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C(C=C1)CCCC(O)S(=O)(=O)O
Tpsa:
100.9
Logp:
1.0021
H Acceptors:
5
H Donors:
2
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: C₂₁H₂₄F₂O₅
Molecular Weight: 394.41
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](F)(C(=O)C1)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])(C[C@@H](C)[C@@]2(C(O)=O)O)[H]
Tpsa: 91.67
Logp: 2.5751
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₄F₂O₅
Molecular Weight:
394.41
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](F)(C(=O)C1)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])(C[C@@H](C)[C@@]2(C(O)=O)O)[H]
Tpsa:
91.67
Logp:
2.5751
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₃N₃O₇
Molecular Weight: 429.42
Synonyms: None
SMILES: O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=C(N)C4CC3CC2C(C1O)N(C)C
Tpsa: 187.41
Logp: -0.2972
H Acceptors: 9
H Donors: 6
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:
C₂₁H₂₃N₃O₇
Molecular Weight:
429.42
Synonyms:
None
SMILES:
O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=C(N)C4CC3CC2C(C1O)N(C)C
Tpsa:
187.41
Logp:
-0.2972
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
2