7-aminoactinomycin D (Q259277)

PubChem

PubChem CID

14924508

7-Aminoactinomycin D (English)

6 October 2016

isomeric SMILES

C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)C)N

1 reference

7-Aminoactinomycin D (English)

6 October 2016

1 reference

Medical Subject Headings

MeSH descriptor ID

C025942

InChI=1S/C62H87N13O16/c1-26(2)42-59(85)74-21-17-19-36(74)57(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)39(77)25-71(14)58(84)37-20-18-22-75(37)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,63-64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t32-,33-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1

15 March 2018

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

YXHLJMWYDTXDHS-IRFLANFNSA-N

2 references

7-Aminoactinomycin D (English)

6 October 2016

ChEBI release 2020-09-01

1 reference

7-aminoactinomycin D (English)

6 October 2016

1 reference

7-Amino-Actinomycin D (English)

6 October 2016

2 references

7-Aminoactinomycin D (English)

matched by identifier from

6 October 2016

InChIKey

YXHLJMWYDTXDHS-IRFLANFNSA-N

Reaxys registry number

5915844

1 reference

7-aminoactinomycin D (English)

6 October 2016

ChEBI ID

52304

mapping relation type

2 references

7-aminoactinomycin D (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C62H87N13O16/c1-26(2)42-59(85)74-21-17-19-36(74)57(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)39(77)25-71(14)58(84)37-20-18-22-75(37)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,63-64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t32-,33-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1

1 reference

DSSTOX compound identifier

CHEMBL2159004 (English)

6 October 2016

1 reference

0 references

0 references

0 references

635-285-6

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.163.188

27 December 2018

ECHA Substance Infocard ID

2,7-diamino-4,6-dimethyl-3-oxo-1-N,9-N-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-3H-phenoxazine-1,9-dicarboxamide (English)

quotation

CAS no.: 7240-37-1 (English)

100.163.188

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.163.188

27 December 2018

2,7-diamino-4,6-dimethyl-3-oxo-1-N,9-N-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-3H-phenoxazine-1,9-dicarboxamide (English)

quotation

CAS no.: 7240-37-1 (English)

MeSH descriptor ID

C025942

1 reference