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Substance Name: Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine-4-propionic acid, 2,3,4,4a,5,6,7,11b-octahydro-, (E)-
RN: 105124-62-7
InChIKey: UNVKLUXPXTUVIT-HOCLYGCPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O3

Molecular Weight

  • 275.3459
 
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Names and Synonyms

Synonym

  • (E)-2,3,4,4a,5,6,7,11b-Octahydrobenzo(6,7)cyclohept(1,2-b)(1,4)oxazine-4-propionic acid

Systematic Name

  • Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine-4-propionic acid, 2,3,4,4a,5,6,7,11b-octahydro-, (E)-

Registry Numbers

CAS Registry Number

  • 105124-62-7

System Generated Number

  • 0105124627

Structure Descriptors

InChI

1S/C16H21NO3/c18-15(19)8-9-17-10-11-20-16-13-6-2-1-4-12(13)5-3-7-14(16)17/h1-2,4,6,14,16H,3,5,7-11H2,(H,18,19)/t14-,16-/m0/s1

InChIKey

UNVKLUXPXTUVIT-HOCLYGCPSA-N

Smiles

c1ccc2c(c1)CCC[C@H]3[C@H]2OCCN3CCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 229, 1986.