Chemical identity

Tacrolimus 31-DMT

CAS 127984-76-3 · C43H67NO12

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-28700
PubChem CID9832204
NameTacrolimus 31-DMT
CAS RN127984-76-3
Molecular formulaC43H67NO12
Molecular weight789.99 g/mol
IUPAC nameTacrolimus 31-DMT
InChIKeyVHOPGJHKSPGXIZ-NURRSENYSA-N

02Structure identifiers

2D structurePubChem CID 9832204
Two-dimensional chemical structure of Tacrolimus 31-DMT, CAS 127984-76-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 14 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres14
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)O)O)/C)O)C)OC)OC
InChINot listed
Formula from structureC43H67NO12
Molecular weight from structure789.99 g/mol

03Stereochemistry

The published structure contains 14 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres14Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16,384Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 127984-76-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 127984-76-3 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Tacrolimus

View API and impurity family

Other names

  • Demethomycin
  • 127984-76-3
  • RefChem:336807
  • Tacrolimus 31-DMT
  • CHEMBL3544693
  • SCHEMBL19202681
  • 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-[(1E)-2-[(1R,3R,4R)-3,4-dihydroxycyclohexyl]-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-
  • (3S,4R,5S,8R,12S,14S,15R,16S,18R,19R,26aS,E)-8-allyl-3-((E)-1-((1R,3R,4R)-3,4-dihydroxycyclohexyl)prop-1-en-2-yl)-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1]oxa[4]azacyclotricosine-1,7,20,21(4H,23H)-tetraone

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources