CS-1001420
Benzoic acid, 6-[hydroxy(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)methyl]-2,3-dimethoxy-, monosodium salt, [S-(R*,S*)]-
Manufacturer: ChemScene
CAS Number: 143976-78-7
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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
C₂₂H₂₅NNaO₈
Molecular Weight
454.43
Synonyms
None
SMILES
[C@@H](O)([C@]1(C=2C(OC)=C3C(=CC2CCN1C)OCO3)[H])C4=C(C(O)=O)C(OC)=C(OC)C=C4.[Na]
Tpsa
106.92
Logp
2.0211
H Acceptors
8
H Donors
2
Rotatable Bonds
6
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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-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: C₂₂H₂₅NNaO₈
Molecular Weight: 454.43
Synonyms: None
SMILES: [C@@H](O)([C@]1(C=2C(OC)=C3C(=CC2CCN1C)OCO3)[H])C4=C(C(O)=O)C(OC)=C(OC)C=C4.[Na]
Tpsa: 106.92
Logp: 2.0211
H Acceptors: 8
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:
C₂₂H₂₅NNaO₈
Molecular Weight:
454.43
Synonyms:
None
SMILES:
[C@@H](O)([C@]1(C=2C(OC)=C3C(=CC2CCN1C)OCO3)[H])C4=C(C(O)=O)C(OC)=C(OC)C=C4.[Na]
Tpsa:
106.92
Logp:
2.0211
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₃NO₂
Molecular Weight: 143.18
Synonyms: None
SMILES: C(/C=C\C([O-])=O)[N+](C)(C)C
Tpsa: 40.13
Logp: -1.0013
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₃NO₂
Molecular Weight:
143.18
Synonyms:
None
SMILES:
C(/C=C\C([O-])=O)[N+](C)(C)C
Tpsa:
40.13
Logp:
-1.0013
H Acceptors:
2
H Donors:
0
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: C₉H₁₀ClNO₅S
Molecular Weight: 279.70
Synonyms: None
SMILES: O=C(O)C1=CC(Cl)=C(C=C1OC)NS(=O)(=O)C
Tpsa: 92.7
Logp: 1.4183
H Acceptors: 4
H Donors: 2
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:
C₉H₁₀ClNO₅S
Molecular Weight:
279.70
Synonyms:
None
SMILES:
O=C(O)C1=CC(Cl)=C(C=C1OC)NS(=O)(=O)C
Tpsa:
92.7
Logp:
1.4183
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₅ClF₃N₃O₅
Molecular Weight: 469.80
Synonyms: None
SMILES: O=C(OC)C12OCN(N=C2C=3C=CC(Cl)=CC3C1)C(=O)NC4=CC=C(OC(F)(F)F)C=C4
Tpsa: 89.46
Logp: 3.9324
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₅ClF₃N₃O₅
Molecular Weight:
469.80
Synonyms:
None
SMILES:
O=C(OC)C12OCN(N=C2C=3C=CC(Cl)=CC3C1)C(=O)NC4=CC=C(OC(F)(F)F)C=C4
Tpsa:
89.46
Logp:
3.9324
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3