Chemical identity

Desmopressin S-sulfoxide Mixture

CAS not listed · C92H128N28O26S4

01Identity

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

Lazychem IDLC-12465
PubChem CID171382070
NameDesmopressin S-sulfoxide Mixture
CAS RNNot listed
Molecular formulaC92H128N28O26S4
Molecular weight2170.43 g/mol
IUPAC name1-(7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-1-oxido-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide compound with 1-(7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-2-oxido-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide (1:1)
InChIKeyZYBVFVZRXBEEEZ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 171382070
Two-dimensional chemical structure of Desmopressin S-sulfoxide Mixture
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres16
Ring count8
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESOC1=CC=C(CC(C(NC(C(NC(CCC(N)=O)C(NC(CC(N)=O)C(NC(C(N2CCCC2C(NC(C(NCC(N)=O)=O)CCC/N=C(N)/N)=O)=O)CSS(CC3)=O)=O)=O)=O)CC4=CC=CC=C4)=O)NC3=O)C=C1.OC5=CC=C(CC(C(NC(C(NC(CCC(N)=O)C(NC(CC(N)=O)C(NC(C(N6CCCC6C(NC(C(NCC(N)=O)=O)CCC/N=C(N)/N)=O)=O)CS(SCC7)=O)=O)=O)=O)CC8=CC=CC=C8)=O)NC7=O)C=C5
InChINot listed
Formula from structureC92H128N28O26S4
Molecular weight from structure2170.43 g/mol

03Stereochemistry

The published structure contains 0 defined and 16 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres16Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 65,536Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Desmopressin

View API and impurity family

Other names

No synonyms are listed.

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