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Substance Name: delta-9-Tetrahydrocannabinol dichloroethyl carbamoyl ester
RN: 82459-41-4
InChIKey: LKMMUENAKRKKJS-NHCUHLMSSA-N

Molecular Formula

  • C26-H37-Cl2-N-O3

Molecular Weight

  • 482.4883
 
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Names and Synonyms

Name of Substance

  • delta-9-Tetrahydrocannabinol dichloroethyl carbamoyl ester

Synonyms

  • delta(9)-Thc-nitrogen mustard
  • Thc-mustard

Systematic Name

  • Carbamic acid, bis(2-chloroethyl)-, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-yl ester, (6aR-trans)-

Registry Numbers

CAS Registry Number

  • 82459-41-4

System Generated Number

  • 0082459414

Structure Descriptors

InChI

1S/C26H37Cl2NO3/c1-5-6-7-8-19-16-22(31-25(30)29(13-11-27)14-12-28)24-20-15-18(2)9-10-21(20)26(3,4)32-23(24)17-19/h15-17,20-21H,5-14H2,1-4H3/t20-,21-/m1/s1

InChIKey

LKMMUENAKRKKJS-NHCUHLMSSA-N

Smiles

CCCCCc1cc(OC(=O)N(CCCl)CCCl)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1