(Q27265994)

PubChem

PubChem CID

6420023

Vancomycin HCL (English)

17 November 2016

isomeric SMILES

Cl.CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC(Cl)=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]5C[C@](C)(N)[C@H](O)[C@H](C)O5)C6=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]7C8=CC=C(O)C(=C8)C9=C(O)C=C(O)C=C9[C@H](NC(=O)[C@@H](NC7=O)[C@H](O)C%10=CC=C(O6)C(Cl)=C%10)C(O)=O)C=C2

1 reference

UNII

71WO621TJD

https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802

14 February 2018

legal status (medicine)

boxed warning

1 reference

reference URL

FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

NCI Thesaurus ID

C65207

1 reference

UNII

71WO621TJD

InChI=1S/C66H75Cl2N9O24.ClH/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92;/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95);1H/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-;/m0./s1

14 February 2018

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

LCTORFDMHNKUSG-XTTLPDOESA-N

2 references

Vancomycin HCL (English)

17 November 2016

14 February 2018

2 references

LCTORFDMHNKUSG-XTTLPDOESA-N

14 February 2018

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1404-93-9

1 reference

Vancomycin hydrochloride (English)

17 November 2016

1 reference

Vancomycin HCL (English)

17 November 2016

1 reference

ChEBI release 2019-10-02

1 reference

DSSTOX compound identifier

VANCOMYCIN HYDROCHLORIDE (English)

17 November 2016

1 reference

0 references

0 references

0 references

0 references

604-193-8

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.127.549

27 December 2018

ECHA Substance Infocard ID

(1S,2R,18R,19R,22S,25R,28R,40S)-48-{[(4S,5S,6R)-3-{[(4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylazaniumyl)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylate hydrochloride (English)

quotation

CAS no.: 1404-93-9 (English)

100.127.549

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.127.549

27 December 2018

(1S,2R,18R,19R,22S,25R,28R,40S)-48-{[(4S,5S,6R)-3-{[(4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylazaniumyl)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylate hydrochloride (English)

quotation

CAS no.: 1404-93-9 (English)

RxNorm ID

66955

1 reference