CS-0531748
(4S,4aS,12aS)-4-(Dimethylamino)-3,10,11,12a-tetrahydroxy-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide Demeclocycline Impurity
Manufacturer: ChemScene
CAS Number: 4496-85-9
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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
C₂₁H₂₀N₂O₇
Molecular Weight
412.39
Synonyms
Anhydro-6-demethyltetracycline
SMILES
O[C@]12[C@](CC3=CC4=CC=CC(O)=C4C(O)=C3C2=O)([H])[C@@H](C(O)=C(C1=O)C(N)=O)N(C)C
Tpsa
161.39
Logp
0.1474
H Acceptors
8
H Donors
5
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 4496-85-9 | Demeclocycline EP impurity E | A2B Chem | -- |
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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: C₂₁H₂₀N₂O₇
Molecular Weight: 412.39
Synonyms: Anhydro-6-demethyltetracycline
SMILES: O[C@]12[C@](CC3=CC4=CC=CC(O)=C4C(O)=C3C2=O)([H])[C@@H](C(O)=C(C1=O)C(N)=O)N(C)C
Tpsa: 161.39
Logp: 0.1474
H Acceptors: 8
H Donors: 5
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:
C₂₁H₂₀N₂O₇
Molecular Weight:
412.39
Synonyms:
Anhydro-6-demethyltetracycline
SMILES:
O[C@]12[C@](CC3=CC4=CC=CC(O)=C4C(O)=C3C2=O)([H])[C@@H](C(O)=C(C1=O)C(N)=O)N(C)C
Tpsa:
161.39
Logp:
0.1474
H Acceptors:
8
H Donors:
5
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: C₃₂H₃₄ClN₇O₃
Molecular Weight: 600.11
Synonyms: Domperidone impurity E
SMILES: O=C1NC2=C(N1CCCN3C(N(CCCN4CCC(CC4)N5C(NC6=CC(Cl)=CC=C65)=O)C7=C3C=CC=C7)=O)C=CC=C2
Tpsa: 105.75
Logp: 4.5599
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₄ClN₇O₃
Molecular Weight:
600.11
Synonyms:
Domperidone impurity E
SMILES:
O=C1NC2=C(N1CCCN3C(N(CCCN4CCC(CC4)N5C(NC6=CC(Cl)=CC=C65)=O)C7=C3C=CC=C7)=O)C=CC=C2
Tpsa:
105.75
Logp:
4.5599
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃N₇S₂
Molecular Weight: 283.38
Synonyms: Famotidine cyanoamidine
SMILES: N#CNC(CCSCC1=CSC(NC(N)=N)=N1)=N
Tpsa: 134.46
Logp: 1.11972
H Acceptors: 6
H Donors: 5
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃N₇S₂
Molecular Weight:
283.38
Synonyms:
Famotidine cyanoamidine
SMILES:
N#CNC(CCSCC1=CSC(NC(N)=N)=N1)=N
Tpsa:
134.46
Logp:
1.11972
H Acceptors:
6
H Donors:
5
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: C₁₃H₂₀BrNO₂
Molecular Weight: 302.21
Synonyms: 8-(4-Bromobutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILES: O=C1N(CCCCBr)C(CC2(CCCC2)C1)=O
Tpsa: 37.38
Logp: 2.8709
H Acceptors: 2
H Donors: 0
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:
C₁₃H₂₀BrNO₂
Molecular Weight:
302.21
Synonyms:
8-(4-Bromobutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILES:
O=C1N(CCCCBr)C(CC2(CCCC2)C1)=O
Tpsa:
37.38
Logp:
2.8709
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4