CS-1004872
(1R,2S)-1,2,3,4-Tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolinium
Manufacturer: ChemScene
CAS Number: 791546-70-8
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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
C₂₅H₃₆NO₆+
Molecular Weight
446.56
Synonyms
None
SMILES
C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCCO)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa
66.38
Logp
3.3985
H Acceptors
6
H Donors
1
Rotatable Bonds
10
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: C₂₅H₃₆NO₆+
Molecular Weight: 446.56
Synonyms: None
SMILES: C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCCO)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa: 66.38
Logp: 3.3985
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₆NO₆+
Molecular Weight:
446.56
Synonyms:
None
SMILES:
C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCCO)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa:
66.38
Logp:
3.3985
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈O
Molecular Weight: 190.28
Synonyms: None
SMILES: O=C(C1=CC=C(C(=C1)CC)CC)CC
Tpsa: 17.07
Logp: 3.4041
H Acceptors: 1
H Donors: 0
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:
C₁₃H₁₈O
Molecular Weight:
190.28
Synonyms:
None
SMILES:
O=C(C1=CC=C(C(=C1)CC)CC)CC
Tpsa:
17.07
Logp:
3.4041
H Acceptors:
1
H Donors:
0
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: C₁₅H₁₆F₃NO₂
Molecular Weight: 299.29
Synonyms: None
SMILES: O=C(N1CCCCC1)CC(=O)CC2=CC(F)=C(F)C=C2F
Tpsa: 37.38
Logp: 2.6181
H Acceptors: 2
H Donors: 0
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:
C₁₅H₁₆F₃NO₂
Molecular Weight:
299.29
Synonyms:
None
SMILES:
O=C(N1CCCCC1)CC(=O)CC2=CC(F)=C(F)C=C2F
Tpsa:
37.38
Logp:
2.6181
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂N₄O₃
Molecular Weight: 212.21
Synonyms: None
SMILES: O=C(N)C1=C(C(=NN1C)C(C)C)N(=O)=O
Tpsa: 104.05
Logp: 0.5506
H Acceptors: 5
H Donors: 1
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:
C₈H₁₂N₄O₃
Molecular Weight:
212.21
Synonyms:
None
SMILES:
O=C(N)C1=C(C(=NN1C)C(C)C)N(=O)=O
Tpsa:
104.05
Logp:
0.5506
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3