CS-0615148
3-(3-((((S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl)(methyl)amino)propyl)-1-hydroxy-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one Ivabradine Impurity
Manufacturer: ChemScene
CAS Number: 2511244-96-3
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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
C₂₇H₃₆N₂O₆
Molecular Weight
484.58
Synonyms
None
SMILES
O=C1N(CCCN(C[C@@H]2C3=CC(OC)=C(OC)C=C3C2)C)CCC4=CC(OC)=C(OC)C=C4C1O
Tpsa
80.7
Logp
2.8009
H Acceptors
7
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: C₂₇H₃₆N₂O₆
Molecular Weight: 484.58
Synonyms: None
SMILES: O=C1N(CCCN(C[C@@H]2C3=CC(OC)=C(OC)C=C3C2)C)CCC4=CC(OC)=C(OC)C=C4C1O
Tpsa: 80.7
Logp: 2.8009
H Acceptors: 7
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:
C₂₇H₃₆N₂O₆
Molecular Weight:
484.58
Synonyms:
None
SMILES:
O=C1N(CCCN(C[C@@H]2C3=CC(OC)=C(OC)C=C3C2)C)CCC4=CC(OC)=C(OC)C=C4C1O
Tpsa:
80.7
Logp:
2.8009
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
10
Purity: 97%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉ClF₃N
Molecular Weight: 211.61
Synonyms: None
SMILES: C[C@H](C1=C(C=C(C=C1F)F)F)N.Cl
Tpsa: 26.02
Logp: 2.5454
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉ClF₃N
Molecular Weight:
211.61
Synonyms:
None
SMILES:
C[C@H](C1=C(C=C(C=C1F)F)F)N.Cl
Tpsa:
26.02
Logp:
2.5454
H Acceptors:
1
H Donors:
1
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: C₁₆H₂₄N₂O₃
Molecular Weight: 292.37
Synonyms: None
SMILES: O=C1CC2=CC(OC)=C(OC)C=C2CCN1CCCNC
Tpsa: 50.8
Logp: 1.2405
H Acceptors: 4
H Donors: 1
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:
C₁₆H₂₄N₂O₃
Molecular Weight:
292.37
Synonyms:
None
SMILES:
O=C1CC2=CC(OC)=C(OC)C=C2CCN1CCCNC
Tpsa:
50.8
Logp:
1.2405
H Acceptors:
4
H Donors:
1
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: C₂₇H₃₄N₂O₆
Molecular Weight: 482.57
Synonyms: None
SMILES: COC1=C(OC)C=C(C(C(N(CCCN(C)C[C@@H]2C(C=C(OC)C(OC)=C3)=C3C2)CC4)=O)=O)C4=C1
Tpsa: 77.54
Logp: 2.9502
H Acceptors: 7
H Donors: 0
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:
C₂₇H₃₄N₂O₆
Molecular Weight:
482.57
Synonyms:
None
SMILES:
COC1=C(OC)C=C(C(C(N(CCCN(C)C[C@@H]2C(C=C(OC)C(OC)=C3)=C3C2)CC4)=O)=O)C4=C1
Tpsa:
77.54
Logp:
2.9502
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
10