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Substance Name: Alestramustine [INN]
RN: 139402-18-9
UNII: 81U8A51CHK
InChIKey: NRUFLTXGIPFVSH-KBVRNWHJSA-N

Molecular Formula

  • C26-H36-Cl2-N2-O4

Molecular Weight

  • 511.4864
 
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Names and Synonyms

Name of Substance

  • Alestramustine [INN]

Synonyms

  • Alestramustine
  • Estradiol 3-(bis(2-chloroethyl)carbamate), 17-ester with L-alanine
  • UNII-81U8A51CHK

Systematic Name

  • Estradiol 3-(bis(2-chloroethyl)carbamate), 17-ester with L-alanine

Registry Numbers

CAS Registry Number

  • 139402-18-9

FDA UNII

  • 81U8A51CHK

System Generated Number

  • 0139402189

Structure Descriptors

InChI

1S/C26H36Cl2N2O4/c1-16(29)24(31)34-23-8-7-22-21-5-3-17-15-18(33-25(32)30(13-11-27)14-12-28)4-6-19(17)20(21)9-10-26(22,23)2/h4,6,15-16,20-23H,3,5,7-14,29H2,1-2H3/t16-,20+,21+,22-,23-,26-/m0/s1

InChIKey

NRUFLTXGIPFVSH-KBVRNWHJSA-N

Smiles

C[C@@H](C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OC(=O)N(CCCl)CCCl)C)N