CAS 76497-13-7 Sultamicillin (HCID 444022)

기본 정보

CAS: 76497-13-7
표준 SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C
InChIKey: OPYGFNJSCUDTBT-PMLPCWDUSA-N
분자식: C25H30N4O9S2
평균 분자량: 594.668 g/mol
단동위원소 질량: 594.14542054

우선 이름: Sultamicillin
IUPAC: {[(2S,5R,6R)-6-{[(2R)-2-Amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxy}methyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda~6~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
영어명: Sultamicillin
분자식: C25H30N4O9S2
분자량: 594.66

VD 1827BaeimexCP 49952Unacid PDSutacillinSULTAMICILLINBethadl OraleSultamiccillinSultaMcillin BaseSultamicillin CRS

녹는점: 190 ° · 190°
끓는 점: 907.7 · 907.7±65.0 °C(Predicted)
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 물에는 거의 녹지 않으며, 메탄올에는 아주 약간 녹고, 에탄올에는 거의 녹지 않습니다(96%).
물리적 상태: Solid
산도 계수 (pKa): 12.15 · 12.15±0.60(Predicted)
색상: White to off-white
InChIKey: OPYGFNJSCUDTBT-PMLPCWDUSA-N
SMILES: N12[C@@]([H])([C@H](NC([C@H](N)C3=CC=CC=C3)=O)C1=O)SC(C)(C)[C@@H]2C(OCOC([C@H]1C(C)(C)S(=O)(=O)[C@@]2([H])N1C(=O)C2)=O)=O

White or almost white, slightly hygroscopic, crystalline powder.

용도Antibacterial.

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