CS-1002780
Zoledronic Acid Impurity 12
Manufacturer: ChemScene
CAS Number: 2226960-18-3
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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
C₉H₁₃ClN₂O₄
Molecular Weight
248.66
Synonyms
None
SMILES
[Cl-].O=C(O)CN1C=C[N+](=C1)CC(=O)OCC
Tpsa
72.41
Logp
-3.5727
H Acceptors
4
H Donors
1
Rotatable Bonds
5
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: C₉H₁₃ClN₂O₄
Molecular Weight: 248.66
Synonyms: None
SMILES: [Cl-].O=C(O)CN1C=C[N+](=C1)CC(=O)OCC
Tpsa: 72.41
Logp: -3.5727
H Acceptors: 4
H Donors: 1
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:
C₉H₁₃ClN₂O₄
Molecular Weight:
248.66
Synonyms:
None
SMILES:
[Cl-].O=C(O)CN1C=C[N+](=C1)CC(=O)OCC
Tpsa:
72.41
Logp:
-3.5727
H Acceptors:
4
H Donors:
1
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: C₅₃H₅₈N₆O₆
Molecular Weight: 875.06
Synonyms: None
SMILES: O=C(OCCN1CCN(CC1)C(C=2C=CC=CC2)C=3C=CC=CC3)C4=C(NC(=C(C(=O)OCCN5CCN(CC5)C(C=6C=CC=CC6)C=7C=CC=CC7)C4C=8C=CC=C(C8)N(=O)=O)C)C
Tpsa: 120.73
Logp: 7.7304
H Acceptors: 11
H Donors: 1
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:
C₅₃H₅₈N₆O₆
Molecular Weight:
875.06
Synonyms:
None
SMILES:
O=C(OCCN1CCN(CC1)C(C=2C=CC=CC2)C=3C=CC=CC3)C4=C(NC(=C(C(=O)OCCN5CCN(CC5)C(C=6C=CC=CC6)C=7C=CC=CC7)C4C=8C=CC=C(C8)N(=O)=O)C)C
Tpsa:
120.73
Logp:
7.7304
H Acceptors:
11
H Donors:
1
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: C₃₃H₃₆Cl₂N₈O₄
Molecular Weight: 679.60
Synonyms: None
SMILES: O=C1N(N=CN1C2=CC=C(C=C2)NCCNC3=CC=C(OCC4OC(OC4)(C5=CC=C(Cl)C=C5Cl)CN6N=CN=C6)C=C3)C(C)CC
Tpsa: 122.28
Logp: 5.7747
H Acceptors: 12
H Donors: 2
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:
C₃₃H₃₆Cl₂N₈O₄
Molecular Weight:
679.60
Synonyms:
None
SMILES:
O=C1N(N=CN1C2=CC=C(C=C2)NCCNC3=CC=C(OCC4OC(OC4)(C5=CC=C(Cl)C=C5Cl)CN6N=CN=C6)C=C3)C(C)CC
Tpsa:
122.28
Logp:
5.7747
H Acceptors:
12
H Donors:
2
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: C₁₆H₁₂BrNO₃
Molecular Weight: 346.18
Synonyms: None
SMILES: N#CC1=CC=C(OC2=CC=C(Br)C(=C2)COC(=O)C)C=C1
Tpsa: 59.32
Logp: 4.17618
H Acceptors: 4
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:
C₁₆H₁₂BrNO₃
Molecular Weight:
346.18
Synonyms:
None
SMILES:
N#CC1=CC=C(OC2=CC=C(Br)C(=C2)COC(=O)C)C=C1
Tpsa:
59.32
Logp:
4.17618
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4