CS-0644376

7-Aminocephalosporanic acid hydrochloride

Manufacturer: ChemScene

CAS Number: 57399-61-8

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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

C₁₀H₁₃ClN₂O₅S

Molecular Weight

308.74

Synonyms

7-ACA (hydrochloride)

SMILES

OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2N)([H])N1C2=O)=O.Cl

Tpsa

109.93

Logp

-0.4476

H Acceptors

6

H Donors

2

Rotatable Bonds

3

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

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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ChemScene

CS-0644376

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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:
C₁₀H₁₃ClN₂O₅S

Molecular Weight:
308.74

Synonyms:
7-ACA (hydrochloride)

SMILES:
OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2N)([H])N1C2=O)=O.Cl

Tpsa:
109.93

Logp:
-0.4476

H Acceptors:
6

H Donors:
2

Rotatable Bonds:
3

Img

ChemScene

CS-0644377

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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:
C₈H₅BrCl₂N₂

Molecular Weight:
279.95

Synonyms:
None

SMILES:
CC1=C(Br)C2=C(NN=C2Cl)C=C1Cl

Tpsa:
28.68

Logp:
3.94062

H Acceptors:
1

H Donors:
1

Rotatable Bonds:
0

Img

ChemScene

CS-0644378

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Purity:
98%

MDL No:
None

Storage:
Store at room temperature

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₂₇H₂₂F₂N₄O₂S

Molecular Weight:
504.55

Synonyms:
None

SMILES:
O=S(C1=CC=CN=C1)(N(CC2=CNC(C3=CC=CC=C3F)=C2)CC4=CNC(C5=CC=CC=C5F)=C4)=O

Tpsa:
81.85

Logp:
5.7411

H Acceptors:
3

H Donors:
2

Rotatable Bonds:
8

Img

ChemScene

CS-0644379

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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:
C₇H₆BF₃O₃S

Molecular Weight:
237.99

Synonyms:
None

SMILES:
FC(F)(SC1=CC=C(C=C1B(O)O)O)F

Tpsa:
60.69

Logp:
0.6839

H Acceptors:
4

H Donors:
3

Rotatable Bonds:
2