CS-1004766
Clindamycin Impurity 52
Manufacturer: ChemScene
CAS Number: 763863-68-9
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₀H₅₅ClN₂O₆S
Molecular Weight
607.29
Synonyms
None
SMILES
[C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OC(CCCCCCCCCCC)=O)[C@@H](O)[C@H]2O)[H]
Tpsa
108.33
Logp
4.8613
H Acceptors
8
H Donors
3
Rotatable Bonds
18
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₅₅ClN₂O₆S
Molecular Weight: 607.29
Synonyms: None
SMILES: [C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OC(CCCCCCCCCCC)=O)[C@@H](O)[C@H]2O)[H]
Tpsa: 108.33
Logp: 4.8613
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 18
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₅₅ClN₂O₆S
Molecular Weight:
607.29
Synonyms:
None
SMILES:
[C@@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](OC(CCCCCCCCCCC)=O)[C@@H](O)[C@H]2O)[H]
Tpsa:
108.33
Logp:
4.8613
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃N₃O₄
Molecular Weight: 239.23
Synonyms: None
SMILES: O[C@H]1[C@]2([C@](N3C(O2)=NC(=N)C(C)=C3)(O[C@@H]1CO)[H])[H]
Tpsa: 100.59
Logp: -1.31741
H Acceptors: 7
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:
C₁₀H₁₃N₃O₄
Molecular Weight:
239.23
Synonyms:
None
SMILES:
O[C@H]1[C@]2([C@](N3C(O2)=NC(=N)C(C)=C3)(O[C@@H]1CO)[H])[H]
Tpsa:
100.59
Logp:
-1.31741
H Acceptors:
7
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: C₅₃H₈₃NO₁₄
Molecular Weight: 958.22
Synonyms: None
SMILES: C(C(=O)N1[C@H](C(O)=O)CCCC1)(=O)[C@]2(O)O[C@H](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C([C@@H]([C@@H](/C(=C/[C@H](C(/C=C\[C@@H](C[C@H]3C[C@@H](OC)[C@H](OCCO)CC3)C)=O)C)/C)O)OC)=O)C)C)/C)OC)CC[C@H]2C
Tpsa: 215.66
Logp: 6.5225
H Acceptors: 13
H Donors: 4
Rotatable Bonds: 27
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₃H₈₃NO₁₄
Molecular Weight:
958.22
Synonyms:
None
SMILES:
C(C(=O)N1[C@H](C(O)=O)CCCC1)(=O)[C@]2(O)O[C@H](C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C([C@@H]([C@@H](/C(=C/[C@H](C(/C=C\[C@@H](C[C@H]3C[C@@H](OC)[C@H](OCCO)CC3)C)=O)C)/C)O)OC)=O)C)C)/C)OC)CC[C@H]2C
Tpsa:
215.66
Logp:
6.5225
H Acceptors:
13
H Donors:
4
Rotatable Bonds:
27
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₄N₄O₃S
Molecular Weight: 412.51
Synonyms: None
SMILES: C(C(NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1)=O)(O)C3=CSC(N)=N3
Tpsa: 120.5
Logp: 2.2631
H Acceptors: 7
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₄N₄O₃S
Molecular Weight:
412.51
Synonyms:
None
SMILES:
C(C(NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1)=O)(O)C3=CSC(N)=N3
Tpsa:
120.5
Logp:
2.2631
H Acceptors:
7
H Donors:
5
Rotatable Bonds:
9