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Substance Name: Soravtansine [USAN]
RN: 1461704-01-7
UNII: 6PON74J1XY
InChIKey: GQSPYHXXAXFCRB-DSIKUUPMSA-N

Classification Code

  • Treatment of Cancer

Molecular Formula

  • C42-H60-Cl-N3-O15-S3

Molecular Weight

  • 978.593
 
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Names and Synonyms

Name of Substance

  • Soravtansine [USAN]

Synonyms

  • (2RS,12S)-14-((1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo(19.3.1.110.14.03.5)hexacosa-10,12,14(26),16,18-pentaen-6-yl)-7,7,11,12-tetramethyl-10,13-dioxo-2-sulfonyl-14-oxa-5,6-dithia-11-azatetradecanoic acid
  • DM4-Sulfo-TBA
  • Soravtansine
  • UNII-6PON74J1XY

Systematic Name

  • Maytansine, N2'-(4-((3-carboxy-3-sulfopropyl)dithio)-4-methyl-1-oxopentyl)-N2'-deacetyl-

Registry Numbers

CAS Registry Number

  • 1461704-01-7

FDA UNII

  • 6PON74J1XY

System Generated Number

  • 1461704017

Structure Descriptors

InChI

1S/C42H60ClN3O15S3/c1-23-12-11-13-31(58-10)42(53)22-29(59-39(52)44-42)24(2)36-41(6,61-36)32(21-34(48)46(8)27-19-26(18-23)20-28(57-9)35(27)43)60-38(51)25(3)45(7)33(47)14-16-40(4,5)63-62-17-15-30(37(49)50)64(54,55)56/h11-13,19-20,24-25,29-32,36,53H,14-18,21-22H2,1-10H3,(H,44,52)(H,49,50)(H,54,55,56)/b13-11+,23-12+/t24-,25+,29+,30?,31-,32+,36+,41+,42+/m1/s1

InChIKey

GQSPYHXXAXFCRB-DSIKUUPMSA-N

Smiles

CO[C@@H]1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCC(C(=O)O)S(=O)(=O)O)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4