CS-0533546
(1E,1'E)-N,N'-(((thiazole-2,4-diylbis(methylene))bis(sulfanediyl))bis(ethane-2,1-diyl))bis(N-methyl-2-nitroethene-1,1-diamine) Nizatidine Impurity
Manufacturer: ChemScene
CAS Number: 1193434-62-6
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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
C₁₅H₂₅N₇O₄S₃
Molecular Weight
463.60
Synonyms
N1,N1’-[2,4-Thiazolediylbis(methylenethio-2,1-ethanediyl)]bis(N’-methyl-2-nitro-1,1-ethenediamine)
SMILES
CN/C(NCCSCC1=NC(CSCCN/C(NC)=C/[N+]([O-])=O)=CS1)=C\[N+]([O-])=O
Tpsa
147.29
Logp
1.3787
H Acceptors
12
H Donors
4
Rotatable Bonds
16
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: C₁₅H₂₅N₇O₄S₃
Molecular Weight: 463.60
Synonyms: N1,N1’-[2,4-Thiazolediylbis(methylenethio-2,1-ethanediyl)]bis(N’-methyl-2-nitro-1,1-ethenediamine)
SMILES: CN/C(NCCSCC1=NC(CSCCN/C(NC)=C/[N+]([O-])=O)=CS1)=C\[N+]([O-])=O
Tpsa: 147.29
Logp: 1.3787
H Acceptors: 12
H Donors: 4
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₅N₇O₄S₃
Molecular Weight:
463.60
Synonyms:
N1,N1’-[2,4-Thiazolediylbis(methylenethio-2,1-ethanediyl)]bis(N’-methyl-2-nitro-1,1-ethenediamine)
SMILES:
CN/C(NCCSCC1=NC(CSCCN/C(NC)=C/[N+]([O-])=O)=CS1)=C\[N+]([O-])=O
Tpsa:
147.29
Logp:
1.3787
H Acceptors:
12
H Donors:
4
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂O₆
Molecular Weight: 216.19
Synonyms: None
SMILES: O=C1[C@@H](OC(C)=O)C[C@@H](COC(C)=O)O1
Tpsa: 78.9
Logp: -0.2033
H Acceptors: 6
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:
C₉H₁₂O₆
Molecular Weight:
216.19
Synonyms:
None
SMILES:
O=C1[C@@H](OC(C)=O)C[C@@H](COC(C)=O)O1
Tpsa:
78.9
Logp:
-0.2033
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₅H₅₃NO₁₄
Molecular Weight: 831.90
Synonyms: Iso-cephalomannine
SMILES: CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(C6=CC=CC=C6)=O)=O)C)C)O)OC(/C(C)=C/C)=O)=O
Tpsa: 221.29
Logp: 3.3881
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₅₃NO₁₄
Molecular Weight:
831.90
Synonyms:
Iso-cephalomannine
SMILES:
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(C6=CC=CC=C6)=O)=O)C)C)O)OC(/C(C)=C/C)=O)=O
Tpsa:
221.29
Logp:
3.3881
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₅H₅₃NO₁₄
Molecular Weight: 831.90
Synonyms: 7-epi-Cephalomannine
SMILES: CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(/C(C)=C/C)=O)=O)C)C)O)OC(C6=CC=CC=C6)=O)=O
Tpsa: 221.29
Logp: 3.3881
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₅₃NO₁₄
Molecular Weight:
831.90
Synonyms:
7-epi-Cephalomannine
SMILES:
CC(O[C@]12[C@@]3([H])[C@@H]([C@]4(C(C)(C([C@H](C([C@@]3([C@@H](C[C@@]1([H])OC2)O)C)=O)OC(C)=O)=C([C@H](C4)OC([C@H](O)[C@H](C5=CC=CC=C5)NC(/C(C)=C/C)=O)=O)C)C)O)OC(C6=CC=CC=C6)=O)=O
Tpsa:
221.29
Logp:
3.3881
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
10