CS-0531676
(4S,4aS,12aS)-7-Chloro-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: 22688-73-9
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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
C₂₁H₁₉ClN₂O₇
Molecular Weight
446.84
Synonyms
None
SMILES
O[C@]12[C@](CC(C(C2=O)=C(C3=C(O)C=C4)O)=CC3=C4Cl)([H])[C@@H](C(O)=C(C1=O)C(N)=O)N(C)C
Tpsa
161.39
Logp
0.8008
H Acceptors
8
H Donors
5
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 22688-73-9 | Demeclocycline EP impurity G | 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: C₂₁H₁₉ClN₂O₇
Molecular Weight: 446.84
Synonyms: None
SMILES: O[C@]12[C@](CC(C(C2=O)=C(C3=C(O)C=C4)O)=CC3=C4Cl)([H])[C@@H](C(O)=C(C1=O)C(N)=O)N(C)C
Tpsa: 161.39
Logp: 0.8008
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:
C₂₁H₁₉ClN₂O₇
Molecular Weight:
446.84
Synonyms:
None
SMILES:
O[C@]12[C@](CC(C(C2=O)=C(C3=C(O)C=C4)O)=CC3=C4Cl)([H])[C@@H](C(O)=C(C1=O)C(N)=O)N(C)C
Tpsa:
161.39
Logp:
0.8008
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: C₂₂H₂₉NO₃
Molecular Weight: 355.47
Synonyms: (17a)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxy-19-norpregna-5(10),9(11)-diene-21-nitrile
SMILES: C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])C(C4=C(CC5(OCCO5)CC4)CC3)=CC1
Tpsa: 62.48
Logp: 4.01118
H Acceptors: 4
H Donors: 1
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:
C₂₂H₂₉NO₃
Molecular Weight:
355.47
Synonyms:
(17a)-3,3-[1,2-Ethanediylbis(oxy)]-17-hydroxy-19-norpregna-5(10),9(11)-diene-21-nitrile
SMILES:
C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])C(C4=C(CC5(OCCO5)CC4)CC3)=CC1
Tpsa:
62.48
Logp:
4.01118
H Acceptors:
4
H Donors:
1
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: C₂₂H₃₁NO₃
Molecular Weight: 357.49
Synonyms: DiMethoxy Dienogest
SMILES: C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])C(C4=C(CC(OC)(CC4)OC)CC3)=CC1
Tpsa: 62.48
Logp: 4.25718
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:
C₂₂H₃₁NO₃
Molecular Weight:
357.49
Synonyms:
DiMethoxy Dienogest
SMILES:
C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])C(C4=C(CC(OC)(CC4)OC)CC3)=CC1
Tpsa:
62.48
Logp:
4.25718
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: C₂₀H₂₅NO₂
Molecular Weight: 311.42
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])[C@](C4=CC=C(O)C=C4CC3)([H])CC1
Tpsa: 64.25
Logp: 3.89308
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:
C₂₀H₂₅NO₂
Molecular Weight:
311.42
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])[C@](C4=CC=C(O)C=C4CC3)([H])CC1
Tpsa:
64.25
Logp:
3.89308
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1