Chemical identity

Monohydroxy Sugammadex Impurity

CAS 2376607-98-4 · C69H108O47S7

01Identity

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

Lazychem IDLC-20586
PubChem CID172866655
NameMonohydroxy Sugammadex Impurity
CAS RN2376607-98-4
Molecular formulaC69H108O47S7
Molecular weight1914.0 g/mol
IUPAC name6A,6B,6C,6D,6E,6F,6G-Heptakis-S-(2-carboxyethyl)-6A,6B,6C,6D,6E,6F,6G-heptathio-y-Cyclodextrin
InChIKeyAFWOGLABNGBTDT-NEMVPCEKSA-N

02Structure identifiers

2D structurePubChem CID 172866655
2D structure: Monohydroxy Sugammadex Impurity, CAS 2376607-98-4
Structure of Monohydroxy Sugammadex Impurity (CAS 2376607-98-4). LazyChem record. Source identity: PubChem CID 172866655. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC69H108O47S7
InChIKeyAFWOGLABNGBTDT-NEMVPCEKSA-N
Ring count30
Defined stereocentres40
Unassigned stereocentres0
SMILESC(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)O)O)C(=O)O
InChIInChI=1S/C69H108O47S7/c70-15-23-54-38(85)46(93)62(101-23)110-55-24(16-117-8-1-31(71)72)103-64(48(95)40(55)87)112-57-26(18-119-10-3-33(75)76)105-66(50(97)42(57)89)114-59-28(20-121-12-5-35(79)80)107-68(52(99)44(59)91)116-61-30(22-123-14-7-37(83)84)108-69(53(100)45(61)92)115-60-29(21-122-13-6-36(81)82)106-67(51(98)43(60)90)113-58-27(19-120-11-4-34(77)78)104-65(49(96)41(58)88)111-56-25(17-118-9-2-32(73)74)102-63(109-54)47(94)39(56)86/h23-30,38-70,85-100H,1-22H2,(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)/t23-,24-,25-,26-,27-,28-,29-,30-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m1/s1

03Stereochemistry

The published structure contains 40 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres402D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound2^40Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2376607-98-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 2376607-98-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Sugammadex

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