Rifamycin S

HCID 6436726CAS 13553-79-2

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Grundinformationen

Standard-SMILES: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
InChIKey: BTVYFIMKUHNOBZ-ODRIEIDWSA-N
Summenformel: C37H45NO12
Durchschnittliche Molmasse: 695,8 g/mol
Monoisotopische Masse: 695,29417588

Überblick

Rifamycin S is an organic molecular entity.

Namen und Bezeichner

Bevorzugter Name: Rifamycin S
IUPAC: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate

Namen und Synonyme

Rifamycin S13553-79-21,4-Dideoxy-1,4-dihydro-1,4-dioxorifamycinNSC 144130PI53N820JVDTXSID301043935[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetateNSC-144130((7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo(23.3.1.14,7.05,28)triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl) acetateRefChem:179427DTXCID601526374236-938-4

Weitere Namen anzeigen

Rifomycin SMFCD06198807NCI 144-130Rifampicin SRifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-Rafamycin SC37H45NO12EINECS 236-938-4

Datenbank-Bezeichner

CAS: 13553-79-2
PubChem CID: 6436726
DTXSID: DTXSID301043935
ChEMBL: CHEMBL236921
ChEBI: CHEBI:34948
UNII: PI53N820JV
EC Number: 236-938-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 195 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 12
Frei drehbare Bindungen: 3
Schwere Atome: 50
Formalladung: 0
Komplexität: 1.480

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P301+P317, P308+P316, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.