Wikidata

(Q4515649)

English

mertansine

chemical compound

  • (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1(10,14).0(3,5)]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-[methyl(3-sulfanylpropanoyl)amino]propanoate
  • N2'-deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine
  • maytansinoid DM1
  • DM 1
  • DM1
  • maytansinoid DM 1
In more languages

Statements

subclass of
maytansinoid
0 references
mass
737.275±0 dalton
1 reference
stated in
PubChem
PubChem CID
11343137
language of work or name
English
title
Maytansinoid DM 1 (English)
retrieved
18 November 2016
chemical formula
C₃₅H₄₈ClN₃O₁₀S
1 reference
stated in
PubChem
PubChem CID
11343137
language of work or name
English
title
Maytansinoid DM 1 (English)
retrieved
18 November 2016
canonical SMILES
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCS)C)C)OC)(NC(=O)O2)O
1 reference
stated in
PubChem
PubChem CID
11343137
language of work or name
English
title
Maytansinoid DM 1 (English)
retrieved
18 November 2016
isomeric SMILES
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCS)C)\C)OC)(NC(=O)O2)O
1 reference
stated in
PubChem
PubChem CID
11343137
language of work or name
English
title
Maytansinoid DM 1 (English)
retrieved
18 November 2016

Identifiers

PubChem CID
11343137
1 reference
stated in
PubChem
PubChem CID
11343137
language of work or name
English
title
Maytansinoid DM 1 (English)
retrieved
18 November 2016
Reaxys registry number
10753281
1 reference
stated in
ChEBI
ChEBI ID
82755
language of work or name
English
title
mertansine (English)
retrieved
9 October 2016
EC number
641-051-4
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.168.831
retrieved
27 December 2018
title
N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine, L- (English)
quotation
CAS no.: 139504-50-0 (English)
ECHA Substance Infocard ID
100.168.831
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.168.831
retrieved
27 December 2018
title
N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine, L- (English)
quotation
CAS no.: 139504-50-0 (English)
KEGG ID
C20259
1 reference
stated in
ChEBI
ChEBI ID
82755
language of work or name
English
title
mertansine (English)
retrieved
9 October 2016
Freebase ID
/m/0809tqr
0 references
 
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