CS-1004805
Alendronate Sodium Impurity 3
Manufacturer: ChemScene
CAS Number: 769115-64-2
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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
C₁₁H₁₇NO₈P₂
Molecular Weight
353.20
Synonyms
None
SMILES
O=C(NCCCC(O)(P(=O)(O)O)P(=O)(O)O)C=1C=CC=CC1
Tpsa
164.39
Logp
0.1981
H Acceptors
4
H Donors
6
Rotatable Bonds
7
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: C₁₁H₁₇NO₈P₂
Molecular Weight: 353.20
Synonyms: None
SMILES: O=C(NCCCC(O)(P(=O)(O)O)P(=O)(O)O)C=1C=CC=CC1
Tpsa: 164.39
Logp: 0.1981
H Acceptors: 4
H Donors: 6
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₇NO₈P₂
Molecular Weight:
353.20
Synonyms:
None
SMILES:
O=C(NCCCC(O)(P(=O)(O)O)P(=O)(O)O)C=1C=CC=CC1
Tpsa:
164.39
Logp:
0.1981
H Acceptors:
4
H Donors:
6
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅BrCl₂O₄
Molecular Weight: 446.12
Synonyms: None
SMILES: C(Br)[C@@]1(O[C@@H](COC(=O)C2=CC=CC=C2)CO1)C3=C(Cl)C=C(Cl)C=C3
Tpsa: 44.76
Logp: 4.8135
H Acceptors: 4
H Donors: 0
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:
C₁₈H₁₅BrCl₂O₄
Molecular Weight:
446.12
Synonyms:
None
SMILES:
C(Br)[C@@]1(O[C@@H](COC(=O)C2=CC=CC=C2)CO1)C3=C(Cl)C=C(Cl)C=C3
Tpsa:
44.76
Logp:
4.8135
H Acceptors:
4
H Donors:
0
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: C₈H₁₂NaO₂
Molecular Weight: 163.17
Synonyms: None
SMILES: [Na].O=C(O)C(CC=C)CC=C
Tpsa: 37.3
Logp: 1.4586
H Acceptors: 1
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:
C₈H₁₂NaO₂
Molecular Weight:
163.17
Synonyms:
None
SMILES:
[Na].O=C(O)C(CC=C)CC=C
Tpsa:
37.3
Logp:
1.4586
H Acceptors:
1
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: C₈H₁₁NO₄
Molecular Weight: 185.18
Synonyms: None
SMILES: O=C1NC(=C(O)C(=C1CO)CO)C
Tpsa: 93.55
Logp: -0.62648
H Acceptors: 4
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:
C₈H₁₁NO₄
Molecular Weight:
185.18
Synonyms:
None
SMILES:
O=C1NC(=C(O)C(=C1CO)CO)C
Tpsa:
93.55
Logp:
-0.62648
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
2