CS-0533976
1,4-Bis(8-chloro-5H-dibenzo[b,e][1,4]diazepin-11-yl)piperazine Clozapine Impurity
Manufacturer: ChemScene
CAS Number: 263366-81-0
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Purity
98%
MDL No
MFCD01918732
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₀H₂₄Cl₂N₆
Molecular Weight
539.46
Synonyms
11,11'-(Piperazine-1,4-diyl)-bis-8-chloro-5H-dibenze[b,e][1,4]-diazepine
SMILES
ClC1=CC=C2NC3=C(C(N4CCN(CC4)C5=NC6=CC(Cl)=CC=C6NC7=C5C=CC=C7)=NC2=C1)C=CC=C3
Tpsa
55.26
Logp
7.5818
H Acceptors
6
H Donors
2
Rotatable Bonds
0
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 263366-81-0 | 11,11'-(PIPERAZINE-1,4-DIYL)-BIS-8-CHLORO-5H-DIBENZE[B,E][1,4]-DIAZEPINE | A2B Chem | -- |
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: MFCD01918732
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₂₄Cl₂N₆
Molecular Weight: 539.46
Synonyms: 11,11'-(Piperazine-1,4-diyl)-bis-8-chloro-5H-dibenze[b,e][1,4]-diazepine
SMILES: ClC1=CC=C2NC3=C(C(N4CCN(CC4)C5=NC6=CC(Cl)=CC=C6NC7=C5C=CC=C7)=NC2=C1)C=CC=C3
Tpsa: 55.26
Logp: 7.5818
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD01918732
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₂₄Cl₂N₆
Molecular Weight:
539.46
Synonyms:
11,11'-(Piperazine-1,4-diyl)-bis-8-chloro-5H-dibenze[b,e][1,4]-diazepine
SMILES:
ClC1=CC=C2NC3=C(C(N4CCN(CC4)C5=NC6=CC(Cl)=CC=C6NC7=C5C=CC=C7)=NC2=C1)C=CC=C3
Tpsa:
55.26
Logp:
7.5818
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₈O₄
Molecular Weight: 344.44
Synonyms: Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-, (11beta)-
SMILES: C[C@@]12[C@]3([H])[C@](CCC1=CC(C=C2)=O)([H])[C@@]4([H])[C@](C[C@@H]3O)([C@H](CC4)C(CO)=O)C
Tpsa: 74.6
Logp: 2.4427
H Acceptors: 4
H Donors: 2
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:
C₂₁H₂₈O₄
Molecular Weight:
344.44
Synonyms:
Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-, (11beta)-
SMILES:
C[C@@]12[C@]3([H])[C@](CCC1=CC(C=C2)=O)([H])[C@@]4([H])[C@](C[C@@H]3O)([C@H](CC4)C(CO)=O)C
Tpsa:
74.6
Logp:
2.4427
H Acceptors:
4
H Donors:
2
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: C₂₁H₃₀O₅
Molecular Weight: 362.46
Synonyms: 20(S)-Hydroxy Prednisolone
SMILES: C[C@@]12[C@](CC[C@]2(O)[C@@H](O)CO)([H])[C@@]3([H])[C@@]([C@H](C1)O)([H])[C@@]4(C(CC3)=CC(C=C4)=O)C
Tpsa: 97.99
Logp: 1.3494
H Acceptors: 5
H Donors: 4
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:
C₂₁H₃₀O₅
Molecular Weight:
362.46
Synonyms:
20(S)-Hydroxy Prednisolone
SMILES:
C[C@@]12[C@](CC[C@]2(O)[C@@H](O)CO)([H])[C@@]3([H])[C@@]([C@H](C1)O)([H])[C@@]4(C(CC3)=CC(C=C4)=O)C
Tpsa:
97.99
Logp:
1.3494
H Acceptors:
5
H Donors:
4
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: C₁₁H₂₀ClNO
Molecular Weight: 217.74
Synonyms: Trospium impurity C
SMILES: O[C@@H]1C[C@@]2([H])[N@@+]3(CCCC3)[C@@](CC2)([H])C1.[Cl-]
Tpsa: 20.23
Logp: -1.7133
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₀ClNO
Molecular Weight:
217.74
Synonyms:
Trospium impurity C
SMILES:
O[C@@H]1C[C@@]2([H])[N@@+]3(CCCC3)[C@@](CC2)([H])C1.[Cl-]
Tpsa:
20.23
Logp:
-1.7133
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0