CS-0533477
2-(8-Ethyl-1-isopropyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid Etodolac Impurity
Manufacturer: ChemScene
CAS Number: 849630-65-5
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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
C₁₈H₂₃NO₃
Molecular Weight
301.38
Synonyms
Etodolac impurity F
SMILES
O=C(CC1(C(C)C)OCCC2=C1NC3=C2C=CC=C3CC)O
Tpsa
62.32
Logp
3.629
H Acceptors
2
H Donors
2
Rotatable Bonds
4
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: C₁₈H₂₃NO₃
Molecular Weight: 301.38
Synonyms: Etodolac impurity F
SMILES: O=C(CC1(C(C)C)OCCC2=C1NC3=C2C=CC=C3CC)O
Tpsa: 62.32
Logp: 3.629
H Acceptors: 2
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:
C₁₈H₂₃NO₃
Molecular Weight:
301.38
Synonyms:
Etodolac impurity F
SMILES:
O=C(CC1(C(C)C)OCCC2=C1NC3=C2C=CC=C3CC)O
Tpsa:
62.32
Logp:
3.629
H Acceptors:
2
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: C₁₆H₁₉NO₃
Molecular Weight: 273.33
Synonyms: 1-Ethyl-8-methyl-1,3,4,9-tetrahydropyrano(3,4-b)indole
SMILES: O=C(CC1(CC)OCCC2=C1NC3=C2C=CC=C3C)O
Tpsa: 62.32
Logp: 3.12902
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:
C₁₆H₁₉NO₃
Molecular Weight:
273.33
Synonyms:
1-Ethyl-8-methyl-1,3,4,9-tetrahydropyrano(3,4-b)indole
SMILES:
O=C(CC1(CC)OCCC2=C1NC3=C2C=CC=C3C)O
Tpsa:
62.32
Logp:
3.12902
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: C₄₈H₇₄O₁₅
Molecular Weight: 891.09
Synonyms: Avermectin B2a
SMILES: CC[C@@H]([C@@]1([H])O[C@]2(C[C@@H]([C@@H]1C)O)C[C@]3([H])C[C@](C/C=C([C@H]([C@H](/C=C/C=C4[C@]5([C@](C=C([C@H]([C@@]5([H])OC/4)O)C)([H])C(O3)=O)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)([H])O2)C
Tpsa: 190.29
Logp: 4.5722
H Acceptors: 15
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₇₄O₁₅
Molecular Weight:
891.09
Synonyms:
Avermectin B2a
SMILES:
CC[C@@H]([C@@]1([H])O[C@]2(C[C@@H]([C@@H]1C)O)C[C@]3([H])C[C@](C/C=C([C@H]([C@H](/C=C/C=C4[C@]5([C@](C=C([C@H]([C@@]5([H])OC/4)O)C)([H])C(O3)=O)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)([H])O2)C
Tpsa:
190.29
Logp:
4.5722
H Acceptors:
15
H Donors:
4
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₆ClNO
Molecular Weight: 165.66
Synonyms: (1S,3R)-3-(Dimethylamino)cyclopentan-1-ol; hydrochloride
SMILES: CN([C@H]1C[C@H](CC1)O)C.Cl
Tpsa: 23.47
Logp: 0.8832
H Acceptors: 2
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:
C₇H₁₆ClNO
Molecular Weight:
165.66
Synonyms:
(1S,3R)-3-(Dimethylamino)cyclopentan-1-ol; hydrochloride
SMILES:
CN([C@H]1C[C@H](CC1)O)C.Cl
Tpsa:
23.47
Logp:
0.8832
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1