CS-0531442
(S)-1-(4-Fluorophenyl)-1-(3-(methylamino)propyl)-1,3-dihydroisobenzofuran-5-carbonitrile oxalate Citalopram Impurity
Manufacturer: ChemScene
CAS Number: 852172-06-6
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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
C₂₁H₂₁FN₂O₅
Molecular Weight
400.40
Synonyms
(S)-Desmethyl Citalopram Ethanedioate
SMILES
OC(C(O)=O)=O.CNCCC[C@]1(C2=CC=C(C=C2)F)C3=CC=C(C#N)C=C3CO1
Tpsa
119.65
Logp
2.62638
H Acceptors
5
H Donors
3
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 852172-06-6 | (S)-Desmethyl Citalopram Ethanedioate | 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: C₂₁H₂₁FN₂O₅
Molecular Weight: 400.40
Synonyms: (S)-Desmethyl Citalopram Ethanedioate
SMILES: OC(C(O)=O)=O.CNCCC[C@]1(C2=CC=C(C=C2)F)C3=CC=C(C#N)C=C3CO1
Tpsa: 119.65
Logp: 2.62638
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₁FN₂O₅
Molecular Weight:
400.40
Synonyms:
(S)-Desmethyl Citalopram Ethanedioate
SMILES:
OC(C(O)=O)=O.CNCCC[C@]1(C2=CC=C(C=C2)F)C3=CC=C(C#N)C=C3CO1
Tpsa:
119.65
Logp:
2.62638
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀N₆O
Molecular Weight: 254.25
Synonyms: 7-Desamine-7-hydroxy triamterene
SMILES: O=C1NC2=C(N=C1C3=CC=CC=C3)C(N)=NC(N)=N2
Tpsa: 123.57
Logp: 0.5445
H Acceptors: 6
H Donors: 3
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:
C₁₂H₁₀N₆O
Molecular Weight:
254.25
Synonyms:
7-Desamine-7-hydroxy triamterene
SMILES:
O=C1NC2=C(N=C1C3=CC=CC=C3)C(N)=NC(N)=N2
Tpsa:
123.57
Logp:
0.5445
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₅₀N₆O₁₅
Molecular Weight: 686.71
Synonyms: 1,3-Di-HABA Kanamycin A
SMILES: NCC[C@H](O)C(N[C@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CN)NC([C@@H](O)CCN)=O)[C@@H]1O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)N)O)CO)=O
Tpsa: 381.27
Logp: -9.557
H Acceptors: 19
H Donors: 15
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₅₀N₆O₁₅
Molecular Weight:
686.71
Synonyms:
1,3-Di-HABA Kanamycin A
SMILES:
NCC[C@H](O)C(N[C@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CN)NC([C@@H](O)CCN)=O)[C@@H]1O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)N)O)CO)=O
Tpsa:
381.27
Logp:
-9.557
H Acceptors:
19
H Donors:
15
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₉N
Molecular Weight: 283.45
Synonyms: N,N-Dimethyl-3-(1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo(a,d)(7)annulen-5-ylidene)propan-1-amine
SMILES: CN(C)CC/C=C(C1CCCCC1CC2)/C3=C2C=CC=C3
Tpsa: 3.24
Logp: 4.7743
H Acceptors: 1
H Donors: 0
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:
C₂₀H₂₉N
Molecular Weight:
283.45
Synonyms:
N,N-Dimethyl-3-(1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo(a,d)(7)annulen-5-ylidene)propan-1-amine
SMILES:
CN(C)CC/C=C(C1CCCCC1CC2)/C3=C2C=CC=C3
Tpsa:
3.24
Logp:
4.7743
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3