CS-0613363
(1S,3R,4S,4aR,5S,6S,8S,11R,12aS)-8-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-4-((benzoyloxy)methyl)-1,4,5,6-tetrahydroxy-9,12a,13,13-tetramethyl-12-oxo-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-3,11-diyl diacetate Paclitaxel Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₇H₅₃NO₁₅
Molecular Weight
871.92
Synonyms
None
SMILES
CC(O[C@H]1C([C@]2(C)[C@H](C[C@H]([C@](O)([C@]2([C@@H]([C@]3(C(C)(C1=C(C)[C@H](C3)OC([C@@H]([C@H](C4=CC=CC=C4)NC(C5=CC=CC=C5)=O)O)=O)C)O)O)[H])COC(C6=CC=CC=C6)=O)OC(C)=O)O)=O)=O
Tpsa
252.52
Logp
2.6901
H Acceptors
15
H Donors
6
Rotatable Bonds
11
Other Options
...
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: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₇H₅₃NO₁₅
Molecular Weight: 871.92
Synonyms: None
SMILES: CC(O[C@H]1C([C@]2(C)[C@H](C[C@H]([C@](O)([C@]2([C@@H]([C@]3(C(C)(C1=C(C)[C@H](C3)OC([C@@H]([C@H](C4=CC=CC=C4)NC(C5=CC=CC=C5)=O)O)=O)C)O)O)[H])COC(C6=CC=CC=C6)=O)OC(C)=O)O)=O)=O
Tpsa: 252.52
Logp: 2.6901
H Acceptors: 15
H Donors: 6
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₇H₅₃NO₁₅
Molecular Weight:
871.92
Synonyms:
None
SMILES:
CC(O[C@H]1C([C@]2(C)[C@H](C[C@H]([C@](O)([C@]2([C@@H]([C@]3(C(C)(C1=C(C)[C@H](C3)OC([C@@H]([C@H](C4=CC=CC=C4)NC(C5=CC=CC=C5)=O)O)=O)C)O)O)[H])COC(C6=CC=CC=C6)=O)OC(C)=O)O)=O)=O
Tpsa:
252.52
Logp:
2.6901
H Acceptors:
15
H Donors:
6
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₇NO₄
Molecular Weight: 323.34
Synonyms: None
SMILES: O=C1C(CCO1)NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O
Tpsa: 64.63
Logp: 2.8406
H Acceptors: 4
H Donors: 1
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:
C₁₉H₁₇NO₄
Molecular Weight:
323.34
Synonyms:
None
SMILES:
O=C1C(CCO1)NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O
Tpsa:
64.63
Logp:
2.8406
H Acceptors:
4
H Donors:
1
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: C₁₅H₁₉NO₄
Molecular Weight: 277.32
Synonyms: None
SMILES: O=C(C1(C2=CC=C(NC(OC(C)(C)C)=O)C=C2)CC1)O
Tpsa: 75.63
Logp: 3.1498
H Acceptors: 3
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:
C₁₅H₁₉NO₄
Molecular Weight:
277.32
Synonyms:
None
SMILES:
O=C(C1(C2=CC=C(NC(OC(C)(C)C)=O)C=C2)CC1)O
Tpsa:
75.63
Logp:
3.1498
H Acceptors:
3
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: C₁₃H₁₉NO₃
Molecular Weight: 237.29
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC1=CC=C(CO)C(C)=C1
Tpsa: 58.56
Logp: 2.83432
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₉NO₃
Molecular Weight:
237.29
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC1=CC=C(CO)C(C)=C1
Tpsa:
58.56
Logp:
2.83432
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2