CS-1001885
Mirogabalin Impurity 20
Manufacturer: ChemScene
CAS Number: 1644251-45-5
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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
C₁₂H₁₇NO₄
Molecular Weight
239.27
Synonyms
None
SMILES
C(C(O)=O)[C@]1(CN(=O)=O)[C@]2([C@@](C1)(CC(CC)=C2)[H])[H]
Tpsa
80.44
Logp
2.1004
H Acceptors
3
H Donors
1
Rotatable Bonds
5
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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: C₁₂H₁₇NO₄
Molecular Weight: 239.27
Synonyms: None
SMILES: C(C(O)=O)[C@]1(CN(=O)=O)[C@]2([C@@](C1)(CC(CC)=C2)[H])[H]
Tpsa: 80.44
Logp: 2.1004
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₇NO₄
Molecular Weight:
239.27
Synonyms:
None
SMILES:
C(C(O)=O)[C@]1(CN(=O)=O)[C@]2([C@@](C1)(CC(CC)=C2)[H])[H]
Tpsa:
80.44
Logp:
2.1004
H Acceptors:
3
H Donors:
1
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: C₁₂H₁₉NO₂
Molecular Weight: 209.28
Synonyms: None
SMILES: C(C(O)=O)[C@@]1(CN)[C@@]2([C@](C1)(C/C(=C\C)/C2)[H])[H]
Tpsa: 63.32
Logp: 1.7824
H Acceptors: 2
H Donors: 2
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:
C₁₂H₁₉NO₂
Molecular Weight:
209.28
Synonyms:
None
SMILES:
C(C(O)=O)[C@@]1(CN)[C@@]2([C@](C1)(C/C(=C\C)/C2)[H])[H]
Tpsa:
63.32
Logp:
1.7824
H Acceptors:
2
H Donors:
2
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: C₂₈H₃₆N₄O₄S
Molecular Weight: 524.67
Synonyms: None
SMILES: O=C1N(C(=O)C2C1C3CCC2C3)CC4CCCCC4CN5CCN(C6=NS(=O)(=O)C=7C=CC=CC67)CC5
Tpsa: 90.36
Logp: 2.5906
H Acceptors: 6
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:
C₂₈H₃₆N₄O₄S
Molecular Weight:
524.67
Synonyms:
None
SMILES:
O=C1N(C(=O)C2C1C3CCC2C3)CC4CCCCC4CN5CCN(C6=NS(=O)(=O)C=7C=CC=CC67)CC5
Tpsa:
90.36
Logp:
2.5906
H Acceptors:
6
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: C₁₂H₁₃N₃O₂S
Molecular Weight: 263.32
Synonyms: None
SMILES: O=S(=O)(N)C=1C=NC=CC1NC=2C=CC=CC2C
Tpsa: 85.08
Logp: 1.78102
H Acceptors: 4
H Donors: 2
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:
C₁₂H₁₃N₃O₂S
Molecular Weight:
263.32
Synonyms:
None
SMILES:
O=S(=O)(N)C=1C=NC=CC1NC=2C=CC=CC2C
Tpsa:
85.08
Logp:
1.78102
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3