Primary Record
Ecubectedin
- In stock
- 7,406 g
- Purity
- 98.8 %
- CAS
- 2248127-53-7
Compound Identifiers & Properties
- CAS
- 2248127-53-7
- PubChem CID
- 146175071
- SMILES
- CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(C[C@H](N8)CO)C2=CC=CC=C2N9)OCO7)C)OC(=O)C)C(=C1OC)O
- Canonical SMILES
- COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3[C@@H]4SC[C@]5(N[C@H](CO)Cc6c5[nH]c5ccccc65)C(=O)OC[C@@H](c5c6c(c(C)c(OC(C)=O)c54)OCO6)N3[C@@H](O)[C@H](C2)N1C
Names & Synonyms
- Ecubectedin
- Ecubectedin[INN]
- ECUBECTEDIN [INN]
- T4LIC13RX4
- Ecubectedin [WHO-DD]
- UNII-T4LIC13RX4
- RefChem:136272
- orb1983173
- PM-14
- PM14
- SCHEMBL29973227
- PM 14
- 2248127-53-7
- EX-A11633
- HY-139570
- CS-0213551
- [(1R,2R,3R,3'S,11S,12S,14R,26R)-5,12-dihydroxy-3'-(hydroxymethyl)-6-methoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate
- SPIRO(6,16-(EPITHIOPROPANOXYMETHANO)-7,13-IMINO-12H-1,3-DIOXOLO(7,8)ISOQUINO(3,2-B)(3)BENZAZOCINE-20,1'-(1H)PYRIDO(3,4-B)INDOL)-19-ONE, 5-(ACETYLOXY)-2',3',4',6,6A,7,9',13,14,16-DECAHYDRO-8,14-DIHYDROXY-3'-(HYDROXYMETHYL)-9-METHOXY-4,10,23-TRIMETHYL-, (1'R,3'S,6R,6AR,7R,13S,14S,16R)-
- (1'R,3'S,6R,6AR,7R,13S,14S,16R)-8,14-DIHYDROXY-3'- (HYDROXYMETHYL)-9-METHOXY-4,10,23-TRIMETHYL-19-OXO2',3',4',6,6A,7,9',13,14,16-DECAHYDRO-2H,12HSPIRO(7,13-AZANO-6,16- (SULFANOPROPANOOXYMETHANO)(1,3)DIOXOLO(7,8)ISOQUINO( 3,2-B)(3)BENZAZOCINE-20,1'-PYRIDO(3,4-B)INDOL)-5-YL ACETATE
- (1'R,3'S,6R,6AR,7R,13S,14S,16R)-8,14-DIHYDROXY-3'-(HYDROXYMETHYL)-9-METHOXY-4,10,23-TRIMETHYL-19-OXO2',3',4',6,6A,7,9',13,14,16-DECAHYDRO-2H,12HSPIRO(7,13-AZANO-6,16-(SULFANOPROPANOOXYMETHANO)(1,3)DIOXOLO(7,8)ISOQUINO(3,2-B)(3)BENZAZOCINE-20,1'-PYRIDO(3,4-B)INDOL)-5-YL ACETATE