6-AMINOPENICILLANIC ACID

CAS No.
551-16-6
CCD No.
CCD00004964
Formula
C8 H12 N2 O3 S
MolWeight
216.26

Basic Information

Product Name: 6-AMINOPENICILLANIC ACID
CAS: 551-16-6
English Synonyms: 6-AMINOPENICILLANIC ACID ; (2S,5R,6R)-6-AMINO-2,2-DIMETHYL-5-OXOPERHYDROAZETO[2,1-B][1,3]THIAZOLE-3-CARBOXYLIC ACID ; (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID ; 6-AMINOPENILCILLANIC ACID ; PIPERACILLIN IMPURITY H ; 6-AMINO-2,2-DIMETHYL-5-OXOPERHYDROAZETO[2,1-B][1,3]THIAZOLE-3-CARBOXYLIC ACID ; (+)-6-AMINOPENICILLANIC ACID ; 6-AMINO-3,3-DIMETHYL-7-OXO-4THIA-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID ; 6-APA ; PHENACYL-6-AMINOPENICILLINATE ; 6-AMINO PENICILLINIC ACID ; 6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID ; PENICIN
MDL Number.: MFCD00005176
H bond acceptor: 5
H bond donor: 2
Smile: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C
InChi: InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
InChiKey: InChIKey=NGHVIOIJCVXTGV-ALEPSDHESA-N

Property

Melting Point: 198-200 DEG C (DEC)(LIT)/熔点:198-200 °C
Comments: OPTICAL ACTIVITY: [ALPHA]22/D +276.3 DEG, C = 1.2 IN 0.1 M HCL
OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. A70909.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN
RTECS: XH8225000
STORAGE TEMPERATURE: 2-8 DEG C
UNSPSC: 12352100
WGK: 2

Safety information

Symbol: GHS08 GHS08
Signal word: Danger
Hazard statements: H317,H334
Precautionary statements: P261,P280,P342+P311
hazard symbol: Xn
Risk Code: R:R42/43;
Safe Code: S:S22;S36/37
WGK Germany: 2

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