Docarpamine

CAS Registry Number®

74639-40-0

CAS Name

Docarpamine

Molecular Formula

C21H30N2O8S

Molecular Mass

470.54

Cite this Page

Docarpamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74639-40-0 (retrieved 2024-11-22) (CAS RN: 74639-40-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85-90 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1

InChIKey

InChIKey=ZLVMAMIPILWYHQ-INIZCTEOSA-N

SMILES

O(C(OCC)=O)C1=C(OC(OCC)=O)C=C(CCNC([C@H](CCSC)NC(C)=O)=O)C=C1

Canonical SMILES

O=C(OC1=CC=C(C=C1OC(=O)OCC)CCNC(=O)C(NC(=O)C)CCSC)OCC

Other Names for this Substance

  • Carbonic acid, C,C′-[4-[2-[[2-(acetylamino)-4-(methylthio)-1-oxobutyl]amino]ethyl]-1,2-phenylene] C,C′-diethyl ester
  • Carbonic acid, 4-[2-[[2-(acetylamino)-4-(methylthio)-1-oxobutyl]amino]ethyl]-1,2-phenylene diethyl ester, (S)-
  • Carbonic acid, 4-[2-[[(2S)-2-(acetylamino)-4-(methylthio)-1-oxobutyl]amino]ethyl]-1,2-phenylene diethyl ester
  • Docarpamine
  • TA 870

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Deleted or Replaced CAS Registry Numbers

118024-84-3

CAS INSIGHTSTM
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