CS-1001079
Paclitaxel Impurity 71(N-Debenzoyltaxol)
Manufacturer: ChemScene
CAS Number: 133524-70-6
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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
C₄₀H₄₇NO₁₃
Molecular Weight
749.80
Synonyms
None
SMILES
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](N)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa
218.21
Logp
2.2644
H Acceptors
14
H Donors
4
Rotatable Bonds
8
SAFETY INFORMATION
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: C₄₀H₄₇NO₁₃
Molecular Weight: 749.80
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](N)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa: 218.21
Logp: 2.2644
H Acceptors: 14
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:
C₄₀H₄₇NO₁₃
Molecular Weight:
749.80
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](N)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa:
218.21
Logp:
2.2644
H Acceptors:
14
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: C₁₁H₁₃IN₄O
Molecular Weight: 344.15
Synonyms: None
SMILES: O=C(NC1=NC=NC=2C(I)=CNC12)C(C)(C)C
Tpsa: 70.67
Logp: 2.5471
H Acceptors: 3
H Donors: 2
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:
C₁₁H₁₃IN₄O
Molecular Weight:
344.15
Synonyms:
None
SMILES:
O=C(NC1=NC=NC=2C(I)=CNC12)C(C)(C)C
Tpsa:
70.67
Logp:
2.5471
H Acceptors:
3
H Donors:
2
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: C₁₆H₁₅N₅O₈S₂
Molecular Weight: 469.45
Synonyms: None
SMILES: C(O)(=O)C=1N2C(C(NC(/C(=N\OCC(O)=O)/C3=CSC(N)=N3)=O)C2=O)(S(=O)CC1C=C)[H]
Tpsa: 201.58
Logp: -1.5293
H Acceptors: 10
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:
C₁₆H₁₅N₅O₈S₂
Molecular Weight:
469.45
Synonyms:
None
SMILES:
C(O)(=O)C=1N2C(C(NC(/C(=N\OCC(O)=O)/C3=CSC(N)=N3)=O)C2=O)(S(=O)CC1C=C)[H]
Tpsa:
201.58
Logp:
-1.5293
H Acceptors:
10
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: C₃₃H₄₂O₁₉
Molecular Weight: 742.68
Synonyms: None
SMILES: O(CCO)C1=C2C(OC(=C(O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@H]3O)C2=O)C5=CC(O)=C(OCCO)C=C5)=CC(OCCO)=C1
Tpsa: 297.12
Logp: -2.6906
H Acceptors: 19
H Donors: 10
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₂O₁₉
Molecular Weight:
742.68
Synonyms:
None
SMILES:
O(CCO)C1=C2C(OC(=C(O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@H]3O)C2=O)C5=CC(O)=C(OCCO)C=C5)=CC(OCCO)=C1
Tpsa:
297.12
Logp:
-2.6906
H Acceptors:
19
H Donors:
10
Rotatable Bonds:
15