"6α-[[[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]penicillanic acid" is a complex chemical compound, primarily known as a semi-synthetic derivative of penicillin. It is characterized by its unique structure, which includes a penicillanic acid core with a 6α-amino group substituted by a complex side chain. This side chain features a 4-[bis(2-chloroethyl)amino]phenyl moiety, which is acetylated and further connected to the penicillanic acid through an amino linkage. 6α-[[[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]penicillanic acid is significant in the field of antibiotics, as it represents an advancement in the modification of penicillin to improve its therapeutic properties, such as increased stability and broader-spectrum activity against various bacterial infections. The presence of the 2-chloroethyl groups in the molecule contributes to its alkylating properties, which are crucial for its antibacterial effectiveness.

5676-13-1

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Basic information
1. Product Name: 6α-[[[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]penicillanic acid
2. Synonyms: 6α-[[[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]penicillanic acid;[[4-[Bis(2-chloroethyl)amino]phenyl]methyl]penicillin
3. CAS NO:5676-13-1
4. Molecular Formula: C20H25Cl2N3O4S
5. Molecular Weight: 474.4012
6. EINECS: N/A
7. Product Categories: N/A
8. Mol File: 5676-13-1.mol
Chemical Properties
1. Melting Point: N/A
2. Boiling Point: 761.8±60.0 °C(Predicted)
3. Flash Point: N/A
4. Appearance: /
5. Density: 1.44±0.1 g/cm3(Predicted)
6. Refractive Index: N/A
7. Storage Temp.: N/A
8. Solubility: N/A
9. PKA: 2.44±0.50(Predicted)
10. CAS DataBase Reference: 6α-[[[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]penicillanic acid(CAS DataBase Reference)
11. NIST Chemistry Reference: 6α-[[[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]penicillanic acid(5676-13-1)
12. EPA Substance Registry System: 6α-[[[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]penicillanic acid(5676-13-1)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 5676-13-1(Hazardous Substances Data)

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Check Digit Verification of cas no

The CAS Registry Mumber 5676-13-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,6,7 and 6 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5676-13:
(6*5)+(5*6)+(4*7)+(3*6)+(2*1)+(1*3)=111
111 % 10 = 1
So 5676-13-1 is a valid CAS Registry Number.

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