CS-1003845
Metoclopramide Impurity 52
Manufacturer: ChemScene
CAS Number: 409326-60-9
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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
C₉H₉NO₄
Molecular Weight
195.17
Synonyms
None
SMILES
O=C(O)C=1C(O)=CC=CC1NC(=O)C
Tpsa
86.63
Logp
1.0488
H Acceptors
3
H Donors
3
Rotatable Bonds
2
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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: C₉H₉NO₄
Molecular Weight: 195.17
Synonyms: None
SMILES: O=C(O)C=1C(O)=CC=CC1NC(=O)C
Tpsa: 86.63
Logp: 1.0488
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉NO₄
Molecular Weight:
195.17
Synonyms:
None
SMILES:
O=C(O)C=1C(O)=CC=CC1NC(=O)C
Tpsa:
86.63
Logp:
1.0488
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₄BrNO₃
Molecular Weight: 312.16
Synonyms: None
SMILES: O=C(OCC)C=1C=2C=C(O)C(Br)=CC2N(C1C)C
Tpsa: 51.46
Logp: 3.13152
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄BrNO₃
Molecular Weight:
312.16
Synonyms:
None
SMILES:
O=C(OCC)C=1C=2C=C(O)C(Br)=CC2N(C1C)C
Tpsa:
51.46
Logp:
3.13152
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂O₅
Molecular Weight: 224.21
Synonyms: None
SMILES: O=C(O)C=1C=C(C(=O)O)C(O)=C(C1)C(C)C
Tpsa: 94.83
Logp: 1.912
H Acceptors: 3
H Donors: 3
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:
C₁₁H₁₂O₅
Molecular Weight:
224.21
Synonyms:
None
SMILES:
O=C(O)C=1C=C(C(=O)O)C(O)=C(C1)C(C)C
Tpsa:
94.83
Logp:
1.912
H Acceptors:
3
H Donors:
3
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: C₃₁H₄₆O₃
Molecular Weight: 466.70
Synonyms: None
SMILES: C(C1C(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)O1)C=2C(=O)C=3C(C(=O)C2C)=CC=CC3
Tpsa: 46.67
Logp: 8.3688
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₆O₃
Molecular Weight:
466.70
Synonyms:
None
SMILES:
C(C1C(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)O1)C=2C(=O)C=3C(C(=O)C2C)=CC=CC3
Tpsa:
46.67
Logp:
8.3688
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
14