CS-0531901
1-(1-(4-(4-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-5,6-dihydropyridin-1(2H)-yl)butanoyl)phenyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one Droperidol Impurity
Manufacturer: ChemScene
CAS Number: 1346604-17-8
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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
C₃₄H₃₄N₆O₃
Molecular Weight
574.67
Synonyms
4-Desfluoro-4-[4-(2-Oxo-2,3-dihydro-1H-benzimidazol-1-yl)-3,6-dihydropyridin-1(2H)-yl] Droperidol
SMILES
O=C1NC2=C(N1C3=CCN(CC3)C4=CC=C(C(CCCN5CC=C(CC5)N6C(NC7=C6C=CC=C7)=O)=O)C=C4)C=CC=C2
Tpsa
99.13
Logp
4.9335
H Acceptors
7
H Donors
2
Rotatable Bonds
8
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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: C₃₄H₃₄N₆O₃
Molecular Weight: 574.67
Synonyms: 4-Desfluoro-4-[4-(2-Oxo-2,3-dihydro-1H-benzimidazol-1-yl)-3,6-dihydropyridin-1(2H)-yl] Droperidol
SMILES: O=C1NC2=C(N1C3=CCN(CC3)C4=CC=C(C(CCCN5CC=C(CC5)N6C(NC7=C6C=CC=C7)=O)=O)C=C4)C=CC=C2
Tpsa: 99.13
Logp: 4.9335
H Acceptors: 7
H Donors: 2
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:
C₃₄H₃₄N₆O₃
Molecular Weight:
574.67
Synonyms:
4-Desfluoro-4-[4-(2-Oxo-2,3-dihydro-1H-benzimidazol-1-yl)-3,6-dihydropyridin-1(2H)-yl] Droperidol
SMILES:
O=C1NC2=C(N1C3=CCN(CC3)C4=CC=C(C(CCCN5CC=C(CC5)N6C(NC7=C6C=CC=C7)=O)=O)C=C4)C=CC=C2
Tpsa:
99.13
Logp:
4.9335
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: MFCD11123108
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₉N₃O
Molecular Weight: 127.14
Synonyms: 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine(SALTDATA
SMILES: CC(C1=NC(C)=NO1)N
Tpsa: 64.94
Logp: 0.39772
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD11123108
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₉N₃O
Molecular Weight:
127.14
Synonyms:
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine(SALTDATA
SMILES:
CC(C1=NC(C)=NO1)N
Tpsa:
64.94
Logp:
0.39772
H Acceptors:
4
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: C₆H₅F₂NO
Molecular Weight: 145.11
Synonyms: None
SMILES: FC(C1=C(O)C=CN=C1)F
Tpsa: 33.12
Logp: 1.7248
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:
C₆H₅F₂NO
Molecular Weight:
145.11
Synonyms:
None
SMILES:
FC(C1=C(O)C=CN=C1)F
Tpsa:
33.12
Logp:
1.7248
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: C₁₀H₁₁F₂NO₃
Molecular Weight: 231.20
Synonyms: None
SMILES: O=C(C1=C(N)C(OCC(F)F)=CC=C1)OC
Tpsa: 61.55
Logp: 1.6993
H Acceptors: 4
H Donors: 1
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:
C₁₀H₁₁F₂NO₃
Molecular Weight:
231.20
Synonyms:
None
SMILES:
O=C(C1=C(N)C(OCC(F)F)=CC=C1)OC
Tpsa:
61.55
Logp:
1.6993
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4