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Substance Name: Deuteroporphyrin IX dihydrochloride
RN: 68929-05-5
UNII: 65H5OXY28Q
InChIKey: BOONTVSAMWQCFW-CCJNPHGHSA-M

Molecular Formula

  • C30-H30-N4-O4.2Cl-H

Molecular Weight

  • 690.862
 
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Names and Synonyms

Name of Substance

  • Deuteroporphyrin IX dihydrochloride

Synonyms

  • Deuteroporphyrin IX dihydrochloride
  • EINECS 273-037-5
  • UNII-65H5OXY28Q

Systematic Names

  • 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, dihydrochloride
  • 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, hydrochloride (1:2)
  • 3,7,12,17-Tetramethyl-21H,23H-porphine-2,18-dipropionic acid dihydrochloride

Registry Numbers

CAS Registry Number

  • 68929-05-5

FDA UNII

  • 65H5OXY28Q

Other Registry Number

  • 1442114-37-5

Related Registry Number

  • 448-65-7 (Parent)

System Generated Number

  • 0068929055

Molecular Formulas

Molecular Formula

  • C30-H30-N4-O4.2Cl-H

Molecular Formula Fragments

  • C30-H30-N4-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C42H58N4.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40-33(2)41-31-38-27-25-36(44-38)29-34-23-24-35(43-34)30-37-26-28-39(45-37)32-42(40)46-41;;/h23-32,44,46H,3-22H2,1-2H3;2*1H/p-1/b34-29-,35-30-,36-29-,37-30-,38-31-,39-32-,41-31-,42-32-;;

InChIKey

BOONTVSAMWQCFW-CCJNPHGHSA-M

Smiles

c12[nH]c(cc3nc(cc4nc(cc5[nH]c(c2)cc5)C=C4)C=C3)c(c1C)CCCCCCCCCCCCCCCCCCCCC.Cl.[ClH-]