CS-0914045
(1S,1'S,2S,2'S)-2,2'-((pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium)
Manufacturer: ChemScene
CAS Number: 96946-55-3
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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
C₅₃H₇₂N₂O₁₂ ₂+
Molecular Weight
929.14
Synonyms
None
SMILES
C([C@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCC(OCCCCCOC(CC[N@@+]3(C)[C@@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa
126.44
Logp
8.0655
H Acceptors
12
H Donors
0
Rotatable Bonds
24
Related Products
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: C₅₃H₇₂N₂O₁₂ ₂+
Molecular Weight: 929.14
Synonyms: None
SMILES: C([C@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCC(OCCCCCOC(CC[N@@+]3(C)[C@@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa: 126.44
Logp: 8.0655
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 24
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₃H₇₂N₂O₁₂ ₂+
Molecular Weight:
929.14
Synonyms:
None
SMILES:
C([C@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCC(OCCCCCOC(CC[N@@+]3(C)[C@@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa:
126.44
Logp:
8.0655
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
24
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₃ClN₂O₃
Molecular Weight: 326.82
Synonyms: None
SMILES: [C@H]([C@@H](NC(C)C)CC)(O)C1=C2C(=C(O)C=C1)NC(=O)C=C2.Cl
Tpsa: 85.35
Logp: 2.4655
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 5
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₃ClN₂O₃
Molecular Weight:
326.82
Synonyms:
None
SMILES:
[C@H]([C@@H](NC(C)C)CC)(O)C1=C2C(=C(O)C=C1)NC(=O)C=C2.Cl
Tpsa:
85.35
Logp:
2.4655
H Acceptors:
4
H Donors:
4
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: C₁₃H₁₇ClN₂O₃
Molecular Weight: 284.74
Synonyms: None
SMILES: [C@H]([C@@H](CC)N)(O)C1=C2C(NC(=O)C=C2)=C(O)C=C1.Cl
Tpsa: 99.34
Logp: 1.4262
H Acceptors: 4
H Donors: 4
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:
C₁₃H₁₇ClN₂O₃
Molecular Weight:
284.74
Synonyms:
None
SMILES:
[C@H]([C@@H](CC)N)(O)C1=C2C(NC(=O)C=C2)=C(O)C=C1.Cl
Tpsa:
99.34
Logp:
1.4262
H Acceptors:
4
H Donors:
4
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: C₄H₇N₃
Molecular Weight: 97.12
Synonyms: None
SMILES: CC1=NC=NN1C
Tpsa: 30.71
Logp: 0.12352
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₇N₃
Molecular Weight:
97.12
Synonyms:
None
SMILES:
CC1=NC=NN1C
Tpsa:
30.71
Logp:
0.12352
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0