CS-0532841
5-Hydroxy-1,4-bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthracene-9,10-dione Mitoxantrone Impurity
Manufacturer: ChemScene
CAS Number: 80189-44-2
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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
C₂₂H₂₈N₄O₅
Molecular Weight
428.48
Synonyms
1-Hydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione
SMILES
O=C1C2=C(C(C3=C1C(NCCNCCO)=CC=C3NCCNCCO)=O)C(O)=CC=C2
Tpsa
142.95
Logp
0.1552
H Acceptors
9
H Donors
7
Rotatable Bonds
12
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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: C₂₂H₂₈N₄O₅
Molecular Weight: 428.48
Synonyms: 1-Hydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione
SMILES: O=C1C2=C(C(C3=C1C(NCCNCCO)=CC=C3NCCNCCO)=O)C(O)=CC=C2
Tpsa: 142.95
Logp: 0.1552
H Acceptors: 9
H Donors: 7
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₈N₄O₅
Molecular Weight:
428.48
Synonyms:
1-Hydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione
SMILES:
O=C1C2=C(C(C3=C1C(NCCNCCO)=CC=C3NCCNCCO)=O)C(O)=CC=C2
Tpsa:
142.95
Logp:
0.1552
H Acceptors:
9
H Donors:
7
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₇ClN₄O₆
Molecular Weight: 478.93
Synonyms: Mitoxantrone EP Impurity D HCl
SMILES: O=C1C2=C(C(C3=C4NCCN(CCO)C4=CC(NCCNCCO)=C13)=O)C(O)=CC=C2O.Cl
Tpsa: 154.39
Logp: 0.513
H Acceptors: 10
H Donors: 7
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:
C₂₂H₂₇ClN₄O₆
Molecular Weight:
478.93
Synonyms:
Mitoxantrone EP Impurity D HCl
SMILES:
O=C1C2=C(C(C3=C4NCCN(CCO)C4=CC(NCCNCCO)=C13)=O)C(O)=CC=C2O.Cl
Tpsa:
154.39
Logp:
0.513
H Acceptors:
10
H Donors:
7
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: C₁₄H₉ClO₆S
Molecular Weight: 340.74
Synonyms: 2-(4-Chloro-3-sulfobenzoyl)benzoic acid
SMILES: O=C(C1=C(C(C2=CC=C(C(S(=O)(O)=O)=C2)Cl)=O)C=CC=C1)O
Tpsa: 108.74
Logp: 2.5159
H Acceptors: 4
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:
C₁₄H₉ClO₆S
Molecular Weight:
340.74
Synonyms:
2-(4-Chloro-3-sulfobenzoyl)benzoic acid
SMILES:
O=C(C1=C(C(C2=CC=C(C(S(=O)(O)=O)=C2)Cl)=O)C=CC=C1)O
Tpsa:
108.74
Logp:
2.5159
H Acceptors:
4
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: C₁₁H₁₇N₂NaO₃
Molecular Weight: 248.25
Synonyms: Pilocarpine Hydrochloride EP Impurity C
SMILES: O=C(O[Na])[C@H](CC)[C@H](CO)CC1=CN=CN1C
Tpsa: 64.35
Logp: 0.224
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₇N₂NaO₃
Molecular Weight:
248.25
Synonyms:
Pilocarpine Hydrochloride EP Impurity C
SMILES:
O=C(O[Na])[C@H](CC)[C@H](CO)CC1=CN=CN1C
Tpsa:
64.35
Logp:
0.224
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6