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Heterocyclic compounds

N-Methylvancomycin

CAS 99759-13-4Formula C67H77Cl2N9O24Molar mass 1,463.30 g/mol
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N-Methylvancomycin chemical structure, C67H77Cl2N9O24, CAS 99759-13-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
99759-13-4
Formula
C67H77Cl2N9O24
Molar mass
1,463.30 g/mol
HS code
293499
Category
Heterocyclic compounds

What is N-Methylvancomycin?

Plain description, key identifiers and synonyms

N-Methylvancomycin is a chemical substance with the molecular formula C67H77Cl2N9O24 and a molar mass of 1,463.30 g/mol. Its CAS registry number is 99759-13-4. The IUPAC name is (1S,2R,18R,19R,22S,25R,40S)-48-[(2S,3R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-19-[[(2R)-2-(dimethylamino)-4-methylpentanoyl]amino]-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,18R,19R,22S,25R,40S)-48-[(2S,3R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-19-[[(2R)-2-(dimethylamino)-4-methylpentanoyl]amino]-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
CAS number
99759-13-4
Molecular formula
C67H77Cl2N9O24
InChIKey
DZUAJHOQOXRHMW-GEKQHEBUSA-N
InChI
InChI=1S/C67H77Cl2N9O24/c1-24(2)13-36(78(5)6)60(90)76-50-52(84)27-8-11-39(33(68)15-27)98-41-17-29-18-42(56(41)102-66-57(55(87)54(86)43(23-79)100-66)101-45-22-67(4,71)58(88)25(3)97-45)99-40-12-9-28(16-34(40)69)53(85)51-64(94)75-49(65(95)96)32-19-30(80)20-38(82)46(32)31-14-26(7-10-37(31)81)47(61(91)77-51)74-62(92)48(29)73-59(89)35(21-44(70)83)72-63(50)93/h7-12,14-20,24-25,35-36,43,45,47-55,57-58,66,79-82,84-88H,13,21-23,71H2,1-6H3,(H2,70,83)(H,72,93)(H,73,89)(H,74,92)(H,75,94)(H,76,90)(H,77,91)(H,95,96)/t25-,35-,36+,43?,45-,47?,48+,49-,50+,51-,52+,53+,54?,55?,57+,58+,66-,67-/m0/s1
Canonical SMILES
CC(C)CC(C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)C1O)N(C)C
Isomeric SMILES
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H](OC(C(C2O)O)CO)OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)C)O)Cl)(C)N)O

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,463.30 g/molcalc.
Exact mass
1,461.4459 Dacalc.
LogP (octanol/water)
0.45calc.
Topological polar surface area
521.7 Ųcalc.
Hydrogen bond donors
18calc.
Hydrogen bond acceptors
25calc.
Rotatable bonds
13calc.
Heavy atoms
102calc.
Rings
12calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
18calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCc2ccc(cc2)Oc2cc3cc(c2OC2OCCCC2OC2CCCCO2)Oc2ccc(cc2)CC2NC(=O)C(NC(=O)C3NC(=O)CN1)c1cccc(c1)-c1ccccc1CNC2=O

O=C1CCc2ccc(cc2)Oc2cc3cc(c2OC2OCCCC2OC2CCCCO2)Oc2ccc(cc2)CC2NC(=O)C(NC(=O)C3NC(=O)CN1)c1cccc(c1)-c1ccccc1CNC2=O

12 rings, 69 atoms.

17 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

N-Methylvancomycin suppliers

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N-Methylvancomycin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code N-Methylvancomycin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for N-Methylvancomycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about N-Methylvancomycin, based on the data on this page

What is N-Methylvancomycin?

N-Methylvancomycin is a chemical substance with the molecular formula C67H77Cl2N9O24 and a molar mass of 1,463.30 g/mol. Its CAS registry number is 99759-13-4.

What is the CAS number of N-Methylvancomycin?

The CAS registry number of N-Methylvancomycin is 99759-13-4.

What is the molecular formula and weight of N-Methylvancomycin?

The molecular formula of N-Methylvancomycin is C67H77Cl2N9O24 and its molar mass is 1,463.30 g/mol.

Is N-Methylvancomycin hazardous?

No GHS hazard classification for N-Methylvancomycin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of N-Methylvancomycin?

N-Methylvancomycin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy N-Methylvancomycin?

Post a free request on CompoundList and suppliers of N-Methylvancomycin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of N-Methylvancomycin?

Suppliers quote N-Methylvancomycin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle N-Methylvancomycin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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