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Substance Name: Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate
RN: 63680-25-1
InChIKey: WOLVOTZYCARNEJ-FJXQXJEOSA-N

Molecular Formula

  • C8-H10-N2-S.C9-H17-N-O5

Molecular Weight

  • 385.482
 
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Names and Synonyms

Synonyms

  • Pseudourea, 2-thio-, S-benzyl-, pantothenate
  • S-Benzylisothiouronium pantothenate
  • USAF NO-1

Systematic Name

  • Pseudourea, 2-benzyl-2-thio-, hydrogen pantothenate

Registry Numbers

CAS Registry Number

  • 63680-25-1

System Generated Number

  • 0063680251

Molecular Formulas

Molecular Formula

  • C8-H10-N2-S.C9-H17-N-O5

Molecular Formula Fragments

  • C8-H10-N2-S
  • C9-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C9H17NO5.C8H10N2S/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;9-8(10)11-6-7-4-2-1-3-5-7/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1-5H,6H2,(H3,9,10)/t7-;/m0./s1

InChIKey

WOLVOTZYCARNEJ-FJXQXJEOSA-N

Smiles

C(=N)(SCc1ccccc1)N.C(CCNC([C@@H](C(CO)(C)C)O)=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,